N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide

C24H18ClN5O4 — CID 68953110

IUPACN-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESCOCOc1cc(Cl)ccc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2ccno2)n1
InChIInChI=1S/C24H18ClN5O4/c1-32-13-33-22-10-15(25)5-6-17(22)20-11-18(14-3-2-4-16(27)9-14)19(12-26)23(29-20)30-24(31)21-7-8-28-34-21/h2-11H,13,27H2,1H3,(H,29,30,31)
InChIKeyKTXXLJCOVOGJET-UHFFFAOYSA-N
MW475.89 g/mol
LogP4.75
Rot. Bonds7

About N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide

N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide (PubChem CID 68953110) has the molecular formula C24H18ClN5O4 and a molecular weight of 475.89 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide
PubChem CID68953110
Molecular FormulaC24H18ClN5O4
Molecular Weight475.89 g/mol
Exact Mass475.10
IUPAC NameN-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESCOCOc1cc(Cl)ccc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2ccno2)n1
InChIInChI=1S/C24H18ClN5O4/c1-32-13-33-22-10-15(25)5-6-17(22)20-11-18(14-3-2-4-16(27)9-14)19(12-26)23(29-20)30-24(31)21-7-8-28-34-21/h2-11H,13,27H2,1H3,(H,29,30,31)
InChIKeyKTXXLJCOVOGJET-UHFFFAOYSA-N
XLogP4.75
TPSA136.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.89
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 68955900
(2R)-2-tert-butyl-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 68955901
n-{4-(3-Aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]pyridin-2-yl}isoxazole-5-carboxamide
CID 68956303
tert-butyl-[(2S)-4-[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]anilino]-4-oxobutan-2-yl]carbamic acid
CID 68957538
N-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-(3-nitrophenyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 68959161
(2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 69279520
N-[4-[3-(butanoylamino)phenyl]-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 69280527
N-[4-[3-[[(2S)-2-aminopropyl]carbamoyl]phenyl]-3-cyano-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 71101840
[(2S)-4-[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]anilino]-4-oxobutan-2-yl] N-tert-butylcarbamate
CID 90691640
tert-butyl{(1S)-3-[(3-{3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-[(isoxazole-5-ylcarbonyl)amino]pyridin-4-yl}phenyl)amino]-1-methyl-3-oxopropyl}carbamate
CID 131739296
Tert-butyl-[3-[3-[6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]anilino]-3-oxopropyl]carbamic acid
CID 68951772
tert-butyl (2R)-2-[[3-[6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 68952596

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide (CID 68953110) is N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide is COCOc1cc(Cl)ccc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2ccno2)n1.
What is the InChIKey of N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KTXXLJCOVOGJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O4/c1-32-13-33-22-10-15(25)5-6-17(22)20-11-18(14-3-2-4-16(27)9-14)19(12-26)23(29-20)30-24(31)21-7-8-28-34-21/h2-11H,13,27H2,1H3,(H,29,30,31).
What are the key properties of N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide?
N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide has a molecular weight of 475.89 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 68953110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).