(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C13H18N4O2 — CID 42588577

IUPAC(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(C)n([C@@H](C)CC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C13H18N4O2/c1-8-5-9(2)17(15-8)10(3)6-13(18)14-12-7-11(4)19-16-12/h5,7,10H,6H2,1-4H3,(H,14,16,18)/t10-/m0/s1
InChIKeyNCWDGYHNYLHSFY-JTQLQIEISA-N
MW262.31 g/mol
LogP2.39
Rot. Bonds4

About (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 42588577) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID42588577
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(C)n([C@@H](C)CC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C13H18N4O2/c1-8-5-9(2)17(15-8)10(3)6-13(18)14-12-7-11(4)19-16-12/h5,7,10H,6H2,1-4H3,(H,14,16,18)/t10-/m0/s1
InChIKeyNCWDGYHNYLHSFY-JTQLQIEISA-N
XLogP2.39
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 42588577) is (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is Cc1cc(C)n([C@@H](C)CC(=O)Nc2cc(C)on2)n1.
What is the InChIKey of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is NCWDGYHNYLHSFY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-5-9(2)17(15-8)10(3)6-13(18)14-12-7-11(4)19-16-12/h5,7,10H,6H2,1-4H3,(H,14,16,18)/t10-/m0/s1.
What are the key properties of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 262.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 42588577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).