N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide

C23H19FN4O2 — CID 90701024

IUPACN-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(N(c3ccncc3)c3ncco3)c2)cc1F
InChIInChI=1S/C23H19FN4O2/c1-15-4-6-18(14-20(15)24)27-22(29)17-5-3-16(2)21(13-17)28(23-26-11-12-30-23)19-7-9-25-10-8-19/h3-14H,1-2H3,(H,27,29)
InChIKeyQVURPKSTCCNRAR-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.55
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide

N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide (PubChem CID 90701024) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide
PubChem CID90701024
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(N(c3ccncc3)c3ncco3)c2)cc1F
InChIInChI=1S/C23H19FN4O2/c1-15-4-6-18(14-20(15)24)27-22(29)17-5-3-16(2)21(13-17)28(23-26-11-12-30-23)19-7-9-25-10-8-19/h3-14H,1-2H3,(H,27,29)
InChIKeyQVURPKSTCCNRAR-UHFFFAOYSA-N
XLogP5.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-8-N-(1,3-oxazol-2-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 122510279
2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide
CID 70789497
US10906896, Cpd 201
CID 156595997
1-Ethyl-7-[(5-methyl-1,3-oxazol-2-yl)amino]-3-phenyl-1,6-naphthyridin-2-one
CID 73506797
1-(4-Fluorophenyl)-3-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]-1,3-diazinan-2-one
CID 11965442
1-(4-Fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone
CID 11965525
2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone
CID 11965526
2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 24831434
3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
CID 24831435
[4-[[4-(4-Fluoroanilino)pyrimidin-2-yl]amino]phenyl]-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone
CID 24880248
4-[[5-Fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide
CID 25071925
1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110516

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide (CID 90701024) is N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide is Cc1ccc(NC(=O)c2ccc(C)c(N(c3ccncc3)c3ncco3)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide?
The InChIKey is QVURPKSTCCNRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-15-4-6-18(14-20(15)24)27-22(29)17-5-3-16(2)21(13-17)28(23-26-11-12-30-23)19-7-9-25-10-8-19/h3-14H,1-2H3,(H,27,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide?
N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide has a molecular weight of 402.43 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide is sourced from PubChem (CID 90701024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).