N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine

C23H24N4O — CID 167620071

IUPACN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine
SMILES[C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2C)CC1
InChIInChI=1S/C23H24N4O/c1-14-7-8-18(21-16(3)26-28-17(21)4)12-20(14)27(6)19-11-15(2)22(25-13-19)23(24-5)9-10-23/h7-8,11-13H,9-10H2,1-4,6H3
InChIKeyDZNFHAWZPUGEHL-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.65
Rot. Bonds4

About N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine

N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine (PubChem CID 167620071) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine.

Molecular Properties

Compound NameN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine
PubChem CID167620071
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine
SMILES[C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2C)CC1
InChIInChI=1S/C23H24N4O/c1-14-7-8-18(21-16(3)26-28-17(21)4)12-20(14)27(6)19-11-15(2)22(25-13-19)23(24-5)9-10-23/h7-8,11-13H,9-10H2,1-4,6H3
InChIKeyDZNFHAWZPUGEHL-UHFFFAOYSA-N
XLogP5.65
TPSA46.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine
CID 167620070
N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-isocyanocyclopropyl)phenyl]-2-methylaniline
CID 164846653
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline
CID 155331632
2-[4-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]butyl]isoindole-1,3-dione
CID 164846275
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline
CID 155331634
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine
CID 155187624
5-[3-[2-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]ethoxy]pyrrolidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846391
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline
CID 155187755
3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 164846345
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
tert-butyl N-[4-(1-cyanocyclopropyl)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]anilino]-N-propylcarbamate
CID 163508067

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine?
The IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine (CID 167620071) is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine.
What is the SMILES notation for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine?
The canonical SMILES for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine is [C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2C)CC1.
What is the InChIKey of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine?
The InChIKey is DZNFHAWZPUGEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14-7-8-18(21-16(3)26-28-17(21)4)12-20(14)27(6)19-11-15(2)22(25-13-19)23(24-5)9-10-23/h7-8,11-13H,9-10H2,1-4,6H3.
What are the key properties of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine?
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine has a molecular weight of 372.47 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine is sourced from PubChem (CID 167620071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).