N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

C23H31N3O3 — CID 71617017

IUPACN-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(c2cc(Cc3ccccc3)on2)C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C23H31N3O3/c1-4-18(5-2)28-22-13-17(12-20(24)23(22)25-15(3)27)21-14-19(29-26-21)11-16-9-7-6-8-10-16/h6-10,13-14,18,20,22-23H,4-5,11-12,24H2,1-3H3,(H,25,27)/t20-,22+,23+/m0/s1
InChIKeyZXZVEHSLFYINNN-MDNUFGMLSA-N
MW397.52 g/mol
LogP3.46
Rot. Bonds8

About N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 71617017) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID71617017
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(c2cc(Cc3ccccc3)on2)C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C23H31N3O3/c1-4-18(5-2)28-22-13-17(12-20(24)23(22)25-15(3)27)21-14-19(29-26-21)11-16-9-7-6-8-10-16/h6-10,13-14,18,20,22-23H,4-5,11-12,24H2,1-3H3,(H,25,27)/t20-,22+,23+/m0/s1
InChIKeyZXZVEHSLFYINNN-MDNUFGMLSA-N
XLogP3.46
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide 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 N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 71617017) is N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC(CC)O[C@@H]1C=C(c2cc(Cc3ccccc3)on2)C[C@H](N)[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is ZXZVEHSLFYINNN-MDNUFGMLSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-18(5-2)28-22-13-17(12-20(24)23(22)25-15(3)27)21-14-19(29-26-21)11-16-9-7-6-8-10-16/h6-10,13-14,18,20,22-23H,4-5,11-12,24H2,1-3H3,(H,25,27)/t20-,22+,23+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-6-amino-4-(5-benzyl-1,2-oxazol-3-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 71617017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).