1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea

C79H88F12N20O14 — CID 161138931

About 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea

1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea (PubChem CID 161138931) has the molecular formula C79H88F12N20O14 and a molecular weight of 1769.67 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea.

Molecular Properties

• Compound Name: 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea
• PubChem CID: 161138931
• Molecular Formula: C79H88F12N20O14
• Molecular Weight: 1769.67 g/mol
• Exact Mass: 1768.66
• IUPAC Name: 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea
• SMILES: C#CCNC(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)OC.CN(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)NCC1CC1.CNC(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)c(F)c1)OC.CON(C)C(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)C1CC1.CON(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)C(=O)NC(C)C
• InChI: InChI=1S/C17H20F2N4O3.C16H17F3N4O2.C16H20F2N4O3.C16H16F2N4O3.C14H15F3N4O3/c1-17(18,19)15-20-14(21-26-15)12-6-4-11(5-7-12)10-23(13-8-9-13)16(24)22(2)25-3;1-23(15(24)20-8-10-2-3-10)9-11-4-6-12(7-5-11)13-21-14(25-22-13)16(17,18)19;1-10(2)19-15(23)22(24-4)9-11-5-7-12(8-6-11)13-20-14(25-21-13)16(3,17)18;1-4-9-19-15(23)22(24-3)10-11-5-7-12(8-6-11)13-20-14(25-21-13)16(2,17)18;1-14(16,17)12-19-11(20-24-12)9-5-4-8(6-10(9)15)7-21(23-3)13(22)18-2/h4-7,13H,8-10H2,1-3H3;4-7,10H,2-3,8-9H2,1H3,(H,20,24);5-8,10H,9H2,1-4H3,(H,19,23);1,5-8H,9-10H2,2-3H3,(H,19,23);4-6H,7H2,1-3H3,(H,18,22)
• InChIKey: UNEFBVQXUSXPOS-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 384.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1769.67
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea?

The IUPAC name of 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea (CID 161138931) is 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea.

What is the SMILES notation for 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea?

The canonical SMILES for 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea is C#CCNC(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)OC.CN(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)NCC1CC1.CNC(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)c(F)c1)OC.CON(C)C(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)C1CC1.CON(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)C(=O)NC(C)C.

What is the InChIKey of 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea?

The InChIKey is UNEFBVQXUSXPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3.C16H17F3N4O2.C16H20F2N4O3.C16H16F2N4O3.C14H15F3N4O3/c1-17(18,19)15-20-14(21-26-15)12-6-4-11(5-7-12)10-23(13-8-9-13)16(24)22(2)25-3;1-23(15(24)20-8-10-2-3-10)9-11-4-6-12(7-5-11)13-21-14(25-22-13)16(17,18)19;1-10(2)19-15(23)22(24-4)9-11-5-7-12(8-6-11)13-20-14(25-21-13)16(3,17)18;1-4-9-19-15(23)22(24-3)10-11-5-7-12(8-6-11)13-20-14(25-21-13)16(2,17)18;1-14(16,17)12-19-11(20-24-12)9-5-4-8(6-10(9)15)7-21(23-3)13(22)18-2/h4-7,13H,8-10H2,1-3H3;4-7,10H,2-3,8-9H2,1H3,(H,20,24);5-8,10H,9H2,1-4H3,(H,19,23);1,5-8H,9-10H2,2-3H3,(H,19,23);4-6H,7H2,1-3H3,(H,18,22).

What are the key properties of 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea?

1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea has a molecular weight of 1769.67 g/mol, XLogP of 15.31, 28 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methylurea;3-(cyclopropylmethyl)-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-1-methoxy-3-methylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-propan-2-ylurea;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1-methoxy-3-prop-2-ynylurea is sourced from PubChem (CID 161138931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).