(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid

C15H20N4O4 — CID 119361397

IUPAC(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H20N4O4/c1-8(2)5-11(15(21)22)17-13(20)12-9(3)23-14(18-12)10-6-16-19(4)7-10/h6-8,11H,5H2,1-4H3,(H,17,20)(H,21,22)/t11-/m0/s1
InChIKeyGGYPRFMPFRUENB-NSHDSACASA-N
MW320.35 g/mol
LogP1.61
Rot. Bonds6

About (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid

(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid (PubChem CID 119361397) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid
PubChem CID119361397
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H20N4O4/c1-8(2)5-11(15(21)22)17-13(20)12-9(3)23-14(18-12)10-6-16-19(4)7-10/h6-8,11H,5H2,1-4H3,(H,17,20)(H,21,22)/t11-/m0/s1
InChIKeyGGYPRFMPFRUENB-NSHDSACASA-N
XLogP1.61
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 119665253
(2R)-4-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119363400
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119223590
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119449966
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 167893790
2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid
CID 167932429
(2R)-4-methyl-2-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]pentanoic acid
CID 78975582
5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 154738846
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid (CID 119361397) is (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid is Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid?
The InChIKey is GGYPRFMPFRUENB-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O4/c1-8(2)5-11(15(21)22)17-13(20)12-9(3)23-14(18-12)10-6-16-19(4)7-10/h6-8,11H,5H2,1-4H3,(H,17,20)(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid has a molecular weight of 320.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119361397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).