N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C21H22N2O2 — CID 2971204

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2c(-c3ccccc3)noc2C)cc1C
InChIInChI=1S/C21H22N2O2/c1-13-10-11-18(12-14(13)2)15(3)22-21(24)19-16(4)25-23-20(19)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,22,24)
InChIKeyOXZPHYWXQKNMSW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.76
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2971204) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2971204
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2c(-c3ccccc3)noc2C)cc1C
InChIInChI=1S/C21H22N2O2/c1-13-10-11-18(12-14(13)2)15(3)22-21(24)19-16(4)25-23-20(19)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,22,24)
InChIKeyOXZPHYWXQKNMSW-UHFFFAOYSA-N
XLogP4.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2971204) is N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc(C(C)NC(=O)c2c(-c3ccccc3)noc2C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is OXZPHYWXQKNMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-10-11-18(12-14(13)2)15(3)22-21(24)19-16(4)25-23-20(19)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2971204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).