2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide

C17H12N4O2 — CID 46847384

IUPAC2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2nc(-c3ccc(-c4ccn[nH]4)cc3)oc12
InChIInChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-14-15(12)23-17(20-14)11-6-4-10(5-7-11)13-8-9-19-21-13/h1-9H,(H2,18,22)(H,19,21)
InChIKeyKXYDBXYWQJHQOQ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.98
Rot. Bonds3

About 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide

2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide (PubChem CID 46847384) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
PubChem CID46847384
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2nc(-c3ccc(-c4ccn[nH]4)cc3)oc12
InChIInChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-14-15(12)23-17(20-14)11-6-4-10(5-7-11)13-8-9-19-21-13/h1-9H,(H2,18,22)(H,19,21)
InChIKeyKXYDBXYWQJHQOQ-UHFFFAOYSA-N
XLogP2.98
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide (CID 46847384) is 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide is NC(=O)c1cccc2nc(-c3ccc(-c4ccn[nH]4)cc3)oc12.
What is the InChIKey of 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is KXYDBXYWQJHQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-14-15(12)23-17(20-14)11-6-4-10(5-7-11)13-8-9-19-21-13/h1-9H,(H2,18,22)(H,19,21).
What are the key properties of 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide?
2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 46847384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).