ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide

C37H52N4O3 — CID 145125164

About ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide

ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 145125164) has the molecular formula C37H52N4O3 and a molecular weight of 600.85 g/mol. Its IUPAC name is ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 145125164
• Molecular Formula: C37H52N4O3
• Molecular Weight: 600.85 g/mol
• Exact Mass: 600.40
• IUPAC Name: ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide
• SMILES: CC.CCCc1cc(OCc2ccccc2)c(-c2onc(C(=O)NCC)c2-c2nc(CCC)c(CCC)n2C)cc1C(C)C
• InChI: InChI=1S/C35H46N4O3.C2H6/c1-8-15-25-20-30(41-22-24-18-13-12-14-19-24)27(21-26(25)23(5)6)33-31(32(38-42-33)35(40)36-11-4)34-37-28(16-9-2)29(17-10-3)39(34)7;1-2/h12-14,18-21,23H,8-11,15-17,22H2,1-7H3,(H,36,40);1-2H3
• InChIKey: JEEVMEAUZHJQNX-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.85
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide (CID 145125164) is ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide is CC.CCCc1cc(OCc2ccccc2)c(-c2onc(C(=O)NCC)c2-c2nc(CCC)c(CCC)n2C)cc1C(C)C.

What is the InChIKey of ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is JEEVMEAUZHJQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N4O3.C2H6/c1-8-15-25-20-30(41-22-24-18-13-12-14-19-24)27(21-26(25)23(5)6)33-31(32(38-42-33)35(40)36-11-4)34-37-28(16-9-2)29(17-10-3)39(34)7;1-2/h12-14,18-21,23H,8-11,15-17,22H2,1-7H3,(H,36,40);1-2H3.

What are the key properties of ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide?

ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 600.85 g/mol, XLogP of 9.08, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-ethyl-4-(1-methyl-4,5-dipropylimidazol-2-yl)-5-(2-phenylmethoxy-5-propan-2-yl-4-propylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145125164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).