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

C16H18N2O4 — CID 120518600

IUPAC2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1oc(-c2ccccc2)nc1C)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-4-16(3,15(20)21)18-13(19)12-10(2)17-14(22-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyKARRAZBKORWNQE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.63
Rot. Bonds5

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

2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 120518600) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID120518600
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1oc(-c2ccccc2)nc1C)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-4-16(3,15(20)21)18-13(19)12-10(2)17-14(22-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyKARRAZBKORWNQE-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 75429021
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 119609069
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
CID 99644607
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119504426
3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516514
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873834
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873836
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
4-methyl-N-[(4-methylphenyl)methylideneamino]-2-phenyl-1,3-oxazole-5-carboxamide
CID 70622767
4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873822
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid (CID 120518600) is 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)c1oc(-c2ccccc2)nc1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is KARRAZBKORWNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-16(3,15(20)21)18-13(19)12-10(2)17-14(22-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120518600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).