(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H22N4O3 — CID 99773500

IUPAC(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)n1c(=O)oc2ccccc21
InChIInChI=1S/C18H22N4O3/c1-10(2)22-12(4)16(11(3)20-22)19-17(23)13(5)21-14-8-6-7-9-15(14)25-18(21)24/h6-10,13H,1-5H3,(H,19,23)/t13-/m1/s1
InChIKeySAVOPSVMMLNHJA-CYBMUJFWSA-N
MW342.40 g/mol
LogP3.19
Rot. Bonds4

About (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 99773500) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID99773500
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)n1c(=O)oc2ccccc21
InChIInChI=1S/C18H22N4O3/c1-10(2)22-12(4)16(11(3)20-22)19-17(23)13(5)21-14-8-6-7-9-15(14)25-18(21)24/h6-10,13H,1-5H3,(H,19,23)/t13-/m1/s1
InChIKeySAVOPSVMMLNHJA-CYBMUJFWSA-N
XLogP3.19
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-[4-(cyanomethyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611025
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
methyl 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 24608479
(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 37400112
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 26124939
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18143367
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 99773500) is (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)n1c(=O)oc2ccccc21.
What is the InChIKey of (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is SAVOPSVMMLNHJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10(2)22-12(4)16(11(3)20-22)19-17(23)13(5)21-14-8-6-7-9-15(14)25-18(21)24/h6-10,13H,1-5H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 99773500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).