2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide

C19H15FN4O2 — CID 42515336

IUPAC2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C19H15FN4O2/c1-24(11-15-7-8-21-23-15)19(25)13-5-6-17-16(10-13)22-18(26-17)12-3-2-4-14(20)9-12/h2-10H,11H2,1H3,(H,21,23)
InChIKeyFLSNXZQMGWWDSW-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide

2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 42515336) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID42515336
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C19H15FN4O2/c1-24(11-15-7-8-21-23-15)19(25)13-5-6-17-16(10-13)22-18(26-17)12-3-2-4-14(20)9-12/h2-10H,11H2,1H3,(H,21,23)
InChIKeyFLSNXZQMGWWDSW-UHFFFAOYSA-N
XLogP3.63
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide (CID 42515336) is 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide is CN(Cc1ccn[nH]1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is FLSNXZQMGWWDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-24(11-15-7-8-21-23-15)19(25)13-5-6-17-16(10-13)22-18(26-17)12-3-2-4-14(20)9-12/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide?
2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42515336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).