3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide

C19H16N4O3 — CID 136533875

IUPAC3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)[nH]n2)cc1C
InChIInChI=1S/C19H16N4O3/c1-10-3-4-12(7-11(10)2)14-9-16(23-22-14)18(24)20-13-5-6-17-15(8-13)21-19(25)26-17/h3-9H,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyBPUMUXFAHDNEKK-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.38
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide

3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 136533875) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID136533875
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)[nH]n2)cc1C
InChIInChI=1S/C19H16N4O3/c1-10-3-4-12(7-11(10)2)14-9-16(23-22-14)18(24)20-13-5-6-17-15(8-13)21-19(25)26-17/h3-9H,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyBPUMUXFAHDNEKK-UHFFFAOYSA-N
XLogP3.38
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide (CID 136533875) is 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)[nH]n2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is BPUMUXFAHDNEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-10-3-4-12(7-11(10)2)14-9-16(23-22-14)18(24)20-13-5-6-17-15(8-13)21-19(25)26-17/h3-9H,1-2H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide?
3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136533875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).