2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide

C21H22N2O2 — CID 2801422

IUPAC2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H22N2O2/c1-14-22-18(19(25-14)16-8-6-5-7-9-16)15-10-12-17(13-11-15)23-20(24)21(2,3)4/h5-13H,1-4H3,(H,23,24)
InChIKeyVCRGOXRGOBRPRH-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.30
Rot. Bonds3

About 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide

2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide (PubChem CID 2801422) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide
PubChem CID2801422
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H22N2O2/c1-14-22-18(19(25-14)16-8-6-5-7-9-16)15-10-12-17(13-11-15)23-20(24)21(2,3)4/h5-13H,1-4H3,(H,23,24)
InChIKeyVCRGOXRGOBRPRH-UHFFFAOYSA-N
XLogP5.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide (CID 2801422) is 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide is Cc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(-c2ccccc2)o1.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide?
The InChIKey is VCRGOXRGOBRPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-22-18(19(25-14)16-8-6-5-7-9-16)15-10-12-17(13-11-15)23-20(24)21(2,3)4/h5-13H,1-4H3,(H,23,24).
What are the key properties of 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide?
2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 2801422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).