(2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid

C13H19FN2O4 — CID 166170251

IUPAC(2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cc(C(C)(C)F)on1)C(=O)O
InChIInChI=1S/C13H19FN2O4/c1-7(2)5-9(12(18)19)15-11(17)8-6-10(20-16-8)13(3,4)14/h6-7,9H,5H2,1-4H3,(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeySNHIFRUTKYDZQV-VIFPVBQESA-N
MW286.30 g/mol
LogP2.11
Rot. Bonds6

About (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid

(2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 166170251) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID166170251
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cc(C(C)(C)F)on1)C(=O)O
InChIInChI=1S/C13H19FN2O4/c1-7(2)5-9(12(18)19)15-11(17)8-6-10(20-16-8)13(3,4)14/h6-7,9H,5H2,1-4H3,(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeySNHIFRUTKYDZQV-VIFPVBQESA-N
XLogP2.11
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
N-cyclohexyl-5-isopropylisoxazole-3-carboxamide
CID 3243071
N-cyclopentyl-5-propyl-1,2-oxazole-3-carboxamide
CID 5307778
N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309302
5-(Propan-2-YL)-N-propyl-1,2-oxazole-3-carboxamide
CID 6621383
2-Fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 46942672
2-Methylpropyl 2-[3-(propylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 49790824
(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoic acid
CID 71458793
5-cyclopropyl-N-(piperidin-4-yl)isoxazole-3-carboxamide hydrochloride
CID 118947455

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (CID 166170251) is (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)c1cc(C(C)(C)F)on1)C(=O)O.
What is the InChIKey of (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is SNHIFRUTKYDZQV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-7(2)5-9(12(18)19)15-11(17)8-6-10(20-16-8)13(3,4)14/h6-7,9H,5H2,1-4H3,(H,15,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
(2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 286.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 166170251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).