N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C17H18N4O2 — CID 134701053

IUPACN-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)on1
InChIInChI=1S/C17H18N4O2/c1-12(2)15-8-16(23-20-15)17(22)19-14-9-18-21(11-14)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,19,22)
InChIKeySQWUULLGKKTQIS-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.30
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 134701053) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID134701053
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)on1
InChIInChI=1S/C17H18N4O2/c1-12(2)15-8-16(23-20-15)17(22)19-14-9-18-21(11-14)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,19,22)
InChIKeySQWUULLGKKTQIS-UHFFFAOYSA-N
XLogP3.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
CID 156596105
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3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 147150975
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19395890
(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 7770311
N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 134701056

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 134701053) is N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is SQWUULLGKKTQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(2)15-8-16(23-20-15)17(22)19-14-9-18-21(11-14)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134701053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).