N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide

C16H13FN4O2 — CID 71111296

IUPACN-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2ccc(F)cc2)c(N)n1
InChIInChI=1S/C16H13FN4O2/c1-9-13(8-23-21-9)16(22)20-14-7-6-12(15(18)19-14)10-2-4-11(17)5-3-10/h2-8H,1H3,(H3,18,19,20,22)
InChIKeyGIQSJMSAGQBVAJ-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.02
Rot. Bonds3

About N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71111296) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID71111296
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC NameN-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2ccc(F)cc2)c(N)n1
InChIInChI=1S/C16H13FN4O2/c1-9-13(8-23-21-9)16(22)20-14-7-6-12(15(18)19-14)10-2-4-11(17)5-3-10/h2-8H,1H3,(H3,18,19,20,22)
InChIKeyGIQSJMSAGQBVAJ-UHFFFAOYSA-N
XLogP3.02
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 71111296) is N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(-c2ccc(F)cc2)c(N)n1.
What is the InChIKey of N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GIQSJMSAGQBVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-9-13(8-23-21-9)16(22)20-14-7-6-12(15(18)19-14)10-2-4-11(17)5-3-10/h2-8H,1H3,(H3,18,19,20,22).
What are the key properties of N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71111296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).