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

C17H14N6O3 — CID 147150975

IUPACN-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nnc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)o1
InChIInChI=1S/C17H14N6O3/c1-11-20-21-17(25-11)15-7-14(22-26-15)16(24)19-13-8-18-23(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,24)
InChIKeyBTZDOYQXRLNOEJ-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.53
Rot. Bonds5

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

N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 147150975) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID147150975
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nnc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)o1
InChIInChI=1S/C17H14N6O3/c1-11-20-21-17(25-11)15-7-14(22-26-15)16(24)19-13-8-18-23(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,24)
InChIKeyBTZDOYQXRLNOEJ-UHFFFAOYSA-N
XLogP2.53
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
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3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
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N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
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N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 147150975) is N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide is Cc1nnc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)o1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BTZDOYQXRLNOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-11-20-21-17(25-11)15-7-14(22-26-15)16(24)19-13-8-18-23(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 147150975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).