(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H18N4O2 — CID 42588574

IUPAC(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)n(C[C@@H](C)C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C13H18N4O2/c1-8(7-17-10(3)5-9(2)15-17)13(18)14-12-6-11(4)19-16-12/h5-6,8H,7H2,1-4H3,(H,14,16,18)/t8-/m1/s1
InChIKeyYQGMNFABZMVVGL-MRVPVSSYSA-N
MW262.31 g/mol
LogP2.07
Rot. Bonds4

About (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 42588574) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID42588574
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)n(C[C@@H](C)C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C13H18N4O2/c1-8(7-17-10(3)5-9(2)15-17)13(18)14-12-6-11(4)19-16-12/h5-6,8H,7H2,1-4H3,(H,14,16,18)/t8-/m1/s1
InChIKeyYQGMNFABZMVVGL-MRVPVSSYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)sulfamoyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 42588574) is (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(C)n(C[C@@H](C)C(=O)Nc2cc(C)on2)n1.
What is the InChIKey of (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is YQGMNFABZMVVGL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(7-17-10(3)5-9(2)15-17)13(18)14-12-6-11(4)19-16-12/h5-6,8H,7H2,1-4H3,(H,14,16,18)/t8-/m1/s1.
What are the key properties of (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 42588574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).