(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide

C17H19N5O2 — CID 99856728

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide
SMILESCC[C@H](Nc1cnn(-c2ccccc2)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H19N5O2/c1-3-15(17(23)20-16-9-12(2)24-21-16)19-13-10-18-22(11-13)14-7-5-4-6-8-14/h4-11,15,19H,3H2,1-2H3,(H,20,21,23)/t15-/m0/s1
InChIKeySGFNHAAITFOOPH-HNNXBMFYSA-N
MW325.37 g/mol
LogP3.00
Rot. Bonds6

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide (PubChem CID 99856728) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide
PubChem CID99856728
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide
SMILESCC[C@H](Nc1cnn(-c2ccccc2)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H19N5O2/c1-3-15(17(23)20-16-9-12(2)24-21-16)19-13-10-18-22(11-13)14-7-5-4-6-8-14/h4-11,15,19H,3H2,1-2H3,(H,20,21,23)/t15-/m0/s1
InChIKeySGFNHAAITFOOPH-HNNXBMFYSA-N
XLogP3.00
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
CID 47018451
N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
CID 30756453
N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
CID 86802727
(2R)-2-(4-bromo-2-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 41016042
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 95904873
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
CID 35789320
(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 30237362
(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 32510370
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100828981

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide (CID 99856728) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide is CC[C@H](Nc1cnn(-c2ccccc2)c1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide?
The InChIKey is SGFNHAAITFOOPH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-15(17(23)20-16-9-12(2)24-21-16)19-13-10-18-22(11-13)14-7-5-4-6-8-14/h4-11,15,19H,3H2,1-2H3,(H,20,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide has a molecular weight of 325.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide is sourced from PubChem (CID 99856728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).