(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide

C18H18N2O3 — CID 30035442

IUPAC(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C18H18N2O3/c1-3-16(23-14-7-5-4-6-8-14)18(21)20-13-9-10-17-15(11-13)19-12(2)22-17/h4-11,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyIOXMRPRPTOVBAG-MRXNPFEDSA-N
MW310.35 g/mol
LogP3.93
Rot. Bonds5

About (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide

(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide (PubChem CID 30035442) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide
PubChem CID30035442
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C18H18N2O3/c1-3-16(23-14-7-5-4-6-8-14)18(21)20-13-9-10-17-15(11-13)19-12(2)22-17/h4-11,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyIOXMRPRPTOVBAG-MRXNPFEDSA-N
XLogP3.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 25474142
benzyl N-[(2S,3S)-3-methyl-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxopentan-2-yl]carbamate
CID 26683428
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 39951551
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide?
The IUPAC name of (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide (CID 30035442) is (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc(C)nc2c1.
What is the InChIKey of (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide?
The InChIKey is IOXMRPRPTOVBAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-16(23-14-7-5-4-6-8-14)18(21)20-13-9-10-17-15(11-13)19-12(2)22-17/h4-11,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide?
(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide has a molecular weight of 310.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide is sourced from PubChem (CID 30035442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).