2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid

C16H18N2O4 — CID 119249512

IUPAC2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-10-12(14(19)17-9-16(2,3)15(20)21)13(18-22-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyJHDCGGKSYGNFPP-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.49
Rot. Bonds5

About 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 119249512) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID119249512
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-10-12(14(19)17-9-16(2,3)15(20)21)13(18-22-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyJHDCGGKSYGNFPP-UHFFFAOYSA-N
XLogP2.49
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate
CID 26262948
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17423337
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32826150
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
CID 57328394
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18167064
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 119249512) is 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is Cc1onc(-c2ccccc2)c1C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is JHDCGGKSYGNFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-12(14(19)17-9-16(2,3)15(20)21)13(18-22-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119249512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).