1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide

C18H13FN4O3 — CID 110608193

IUPAC1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)nn1-c1ccccc1F
InChIInChI=1S/C18H13FN4O3/c1-10-8-14(22-23(10)15-5-3-2-4-12(15)19)17(24)20-11-6-7-13-16(9-11)26-18(25)21-13/h2-9H,1H3,(H,20,24)(H,21,25)
InChIKeyKVMCXVHLRFGOGD-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide

1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide (PubChem CID 110608193) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
PubChem CID110608193
Molecular FormulaC18H13FN4O3
Molecular Weight352.33 g/mol
Exact Mass352.10
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)nn1-c1ccccc1F
InChIInChI=1S/C18H13FN4O3/c1-10-8-14(22-23(10)15-5-3-2-4-12(15)19)17(24)20-11-6-7-13-16(9-11)26-18(25)21-13/h2-9H,1H3,(H,20,24)(H,21,25)
InChIKeyKVMCXVHLRFGOGD-UHFFFAOYSA-N
XLogP3.01
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide (CID 110608193) is 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The InChIKey is KVMCXVHLRFGOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3/c1-10-8-14(22-23(10)15-5-3-2-4-12(15)19)17(24)20-11-6-7-13-16(9-11)26-18(25)21-13/h2-9H,1H3,(H,20,24)(H,21,25).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 110608193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).