3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide

C65H81Cl2F3N10O14S — CID 173274199

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide

3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide (PubChem CID 173274199) has the molecular formula C65H81Cl2F3N10O14S and a molecular weight of 1386.39 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
• PubChem CID: 173274199
• Molecular Formula: C65H81Cl2F3N10O14S
• Molecular Weight: 1386.39 g/mol
• Exact Mass: 1384.50
• IUPAC Name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
• SMILES: CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1.CN(C)C(=O)Nc1cc(C(C)(C)C)on1.CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1.CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1.O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2
• InChI: InChI=1S/C18H24N2O4.C15H12F3NO4S.C13H18N2O2.C10H17N3O2.C9H10Cl2N2O2/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5;1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8;16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9;1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5;1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h8-11H,6-7H2,1-5H3,(H,19,21);4-8H,2-3H2,1H3;9H,1-8H2,(H,14,17);6H,1-5H3,(H,11,12,14);3-5H,1-2H3,(H,12,14)
• InChIKey: AYDVSZYBNRXADD-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 305.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1386.39
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?

The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide (CID 173274199) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide.

What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?

The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide is CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1.CN(C)C(=O)Nc1cc(C(C)(C)C)on1.CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1.CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1.O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2.

What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?

The InChIKey is AYDVSZYBNRXADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4.C15H12F3NO4S.C13H18N2O2.C10H17N3O2.C9H10Cl2N2O2/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5;1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8;16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9;1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5;1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h8-11H,6-7H2,1-5H3,(H,19,21);4-8H,2-3H2,1H3;9H,1-8H2,(H,14,17);6H,1-5H3,(H,11,12,14);3-5H,1-2H3,(H,12,14).

What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?

3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 1386.39 g/mol, XLogP of 13.84, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 173274199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).