N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide

C20H20N2O3 — CID 46087211

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2cc(-c3cccc(C)c3)on2)c1
InChIInChI=1S/C20H20N2O3/c1-13-6-4-8-16(10-13)19-12-18(22-25-19)20(23)21-14(2)15-7-5-9-17(11-15)24-3/h4-12,14H,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyNNOCOUSLGXRJND-CQSZACIVSA-N
MW336.39 g/mol
LogP4.15
Rot. Bonds5

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46087211) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID46087211
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2cc(-c3cccc(C)c3)on2)c1
InChIInChI=1S/C20H20N2O3/c1-13-6-4-8-16(10-13)19-12-18(22-25-19)20(23)21-14(2)15-7-5-9-17(11-15)24-3/h4-12,14H,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyNNOCOUSLGXRJND-CQSZACIVSA-N
XLogP4.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 46087302
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 73168515
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 46417652
5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 55780169
5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 93140823
5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42822390
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140630

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide (CID 46087211) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide is COc1cccc([C@@H](C)NC(=O)c2cc(-c3cccc(C)c3)on2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NNOCOUSLGXRJND-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-6-4-8-16(10-13)19-12-18(22-25-19)20(23)21-14(2)15-7-5-9-17(11-15)24-3/h4-12,14H,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).