N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide

C21H22N2O3 — CID 46097248

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2ccccc2C)cc1
InChIInChI=1S/C21H22N2O3/c1-13-7-5-6-8-18(13)20-19(15(3)23-26-20)21(24)22-14(2)16-9-11-17(25-4)12-10-16/h5-12,14H,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeyVRLUECDYPMKOOT-AWEZNQCLSA-N
MW350.42 g/mol
LogP4.46
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 46097248) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID46097248
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2ccccc2C)cc1
InChIInChI=1S/C21H22N2O3/c1-13-7-5-6-8-18(13)20-19(15(3)23-26-20)21(24)22-14(2)16-9-11-17(25-4)12-10-16/h5-12,14H,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeyVRLUECDYPMKOOT-AWEZNQCLSA-N
XLogP4.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide (CID 46097248) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide is COc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2ccccc2C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is VRLUECDYPMKOOT-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-7-5-6-8-18(13)20-19(15(3)23-26-20)21(24)22-14(2)16-9-11-17(25-4)12-10-16/h5-12,14H,1-4H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).