2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide

C23H19FN4O2 — CID 57417708

IUPAC2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1cc(-c2noc(NC(=O)Cc3ccccc3N)c2-c2ccncc2)ccc1F
InChIInChI=1S/C23H19FN4O2/c1-14-12-17(6-7-18(14)24)22-21(15-8-10-26-11-9-15)23(30-28-22)27-20(29)13-16-4-2-3-5-19(16)25/h2-12H,13,25H2,1H3,(H,27,29)
InChIKeyRGQLKSUIIHPDKQ-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide

2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 57417708) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID57417708
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1cc(-c2noc(NC(=O)Cc3ccccc3N)c2-c2ccncc2)ccc1F
InChIInChI=1S/C23H19FN4O2/c1-14-12-17(6-7-18(14)24)22-21(15-8-10-26-11-9-15)23(30-28-22)27-20(29)13-16-4-2-3-5-19(16)25/h2-12H,13,25H2,1H3,(H,27,29)
InChIKeyRGQLKSUIIHPDKQ-UHFFFAOYSA-N
XLogP4.61
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417861
2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498283
2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67196038
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide
CID 67197551
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
CID 67194634
N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174583821
2-(2,5-dimethoxyphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198800
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498294
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67194633

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide (CID 57417708) is 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide is Cc1cc(-c2noc(NC(=O)Cc3ccccc3N)c2-c2ccncc2)ccc1F.
What is the InChIKey of 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is RGQLKSUIIHPDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-14-12-17(6-7-18(14)24)22-21(15-8-10-26-11-9-15)23(30-28-22)27-20(29)13-16-4-2-3-5-19(16)25/h2-12H,13,25H2,1H3,(H,27,29).
What are the key properties of 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 57417708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).