1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide

C23H24N4O4 — CID 10288454

IUPAC1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc3cccc(CC[C@H]([C@H](C)O)n4cnc(C(N)=O)c4)c3o2)cc1
InChIInChI=1S/C23H24N4O4/c1-14(28)20(27-12-19(22(24)29)25-13-27)11-8-15-4-3-5-18-21(15)31-23(26-18)16-6-9-17(30-2)10-7-16/h3-7,9-10,12-14,20,28H,8,11H2,1-2H3,(H2,24,29)/t14-,20+/m0/s1
InChIKeyXFETZGPOCJRSKU-VBKZILBWSA-N
MW420.47 g/mol
LogP3.35
Rot. Bonds8

About 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide

1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide (PubChem CID 10288454) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide
PubChem CID10288454
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc3cccc(CC[C@H]([C@H](C)O)n4cnc(C(N)=O)c4)c3o2)cc1
InChIInChI=1S/C23H24N4O4/c1-14(28)20(27-12-19(22(24)29)25-13-27)11-8-15-4-3-5-18-21(15)31-23(26-18)16-6-9-17(30-2)10-7-16/h3-7,9-10,12-14,20,28H,8,11H2,1-2H3,(H2,24,29)/t14-,20+/m0/s1
InChIKeyXFETZGPOCJRSKU-VBKZILBWSA-N
XLogP3.35
TPSA116.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide (CID 10288454) is 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide is COc1ccc(-c2nc3cccc(CC[C@H]([C@H](C)O)n4cnc(C(N)=O)c4)c3o2)cc1.
What is the InChIKey of 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide?
The InChIKey is XFETZGPOCJRSKU-VBKZILBWSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14(28)20(27-12-19(22(24)29)25-13-27)11-8-15-4-3-5-18-21(15)31-23(26-18)16-6-9-17(30-2)10-7-16/h3-7,9-10,12-14,20,28H,8,11H2,1-2H3,(H2,24,29)/t14-,20+/m0/s1.
What are the key properties of 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide?
1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 10288454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).