4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide

C17H15FN4O2 — CID 133469659

IUPAC4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN4O2/c18-12-3-1-11(2-4-12)17-22-13(10-24-17)5-8-21-15-6-7-20-9-14(15)16(19)23/h1-4,6-7,9-10H,5,8H2,(H2,19,23)(H,20,21)
InChIKeyLFBTWUPFUORYGG-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.63
Rot. Bonds6

About 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide

4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide (PubChem CID 133469659) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide
PubChem CID133469659
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN4O2/c18-12-3-1-11(2-4-12)17-22-13(10-24-17)5-8-21-15-6-7-20-9-14(15)16(19)23/h1-4,6-7,9-10H,5,8H2,(H2,19,23)(H,20,21)
InChIKeyLFBTWUPFUORYGG-UHFFFAOYSA-N
XLogP2.63
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,4-dimethylbenzamide
CID 154805699
(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide
CID 95299541
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide
CID 133470718
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride
CID 120591332
4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-methoxy-2-nitroaniline
CID 133360951
N-tert-butyl-2-[[ethylamino-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]methylidene]amino]acetamide
CID 111385862
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455115

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide (CID 133469659) is 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide is NC(=O)c1cnccc1NCCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide?
The InChIKey is LFBTWUPFUORYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-12-3-1-11(2-4-12)17-22-13(10-24-17)5-8-21-15-6-7-20-9-14(15)16(19)23/h1-4,6-7,9-10H,5,8H2,(H2,19,23)(H,20,21).
What are the key properties of 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide?
4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133469659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).