N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

C21H21N3O3 — CID 46476032

IUPACN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C21H21N3O3/c1-13(2)20(25)22-16-10-9-14(3)17(11-16)23-21(26)19-12-18(24-27-19)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,25)(H,23,26)
InChIKeyLPPOCCNUZPXCGR-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.50
Rot. Bonds5

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

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 46476032) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID46476032
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C21H21N3O3/c1-13(2)20(25)22-16-10-9-14(3)17(11-16)23-21(26)19-12-18(24-27-19)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,25)(H,23,26)
InChIKeyLPPOCCNUZPXCGR-UHFFFAOYSA-N
XLogP4.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 46475945
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 99577393
N-[2-(2-methoxyethyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 166217471
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
CID 55708450
N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 131933449
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 46475612
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 46476032) is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is LPPOCCNUZPXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13(2)20(25)22-16-10-9-14(3)17(11-16)23-21(26)19-12-18(24-27-19)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46476032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).