N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline

C17H24N2O — CID 167054950

IUPACN-octan-3-yl-4-(1,2-oxazol-3-yl)aniline
SMILESCCCCCC(CC)Nc1ccc(-c2ccon2)cc1
InChIInChI=1S/C17H24N2O/c1-3-5-6-7-15(4-2)18-16-10-8-14(9-11-16)17-12-13-20-19-17/h8-13,15,18H,3-7H2,1-2H3
InChIKeyRSLHVPUHZVAYTB-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.11
Rot. Bonds8

About N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline

N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline (PubChem CID 167054950) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline.

Molecular Properties

Compound NameN-octan-3-yl-4-(1,2-oxazol-3-yl)aniline
PubChem CID167054950
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-octan-3-yl-4-(1,2-oxazol-3-yl)aniline
SMILESCCCCCC(CC)Nc1ccc(-c2ccon2)cc1
InChIInChI=1S/C17H24N2O/c1-3-5-6-7-15(4-2)18-16-10-8-14(9-11-16)17-12-13-20-19-17/h8-13,15,18H,3-7H2,1-2H3
InChIKeyRSLHVPUHZVAYTB-UHFFFAOYSA-N
XLogP5.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 150524995
N-undecan-3-ylaniline
CID 171755615
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CID 63947289
4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline
CID 166359746
N-octan-3-yl-1-[16-[4-(octan-3-ylamino)pyridin-1-ium-1-yl]hexadecyl]pyridin-1-ium-4-amine
CID 57132905
N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline
CID 114079537
5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine
CID 82104382
N-heptan-3-yl-4-(trifluoromethylsulfanyl)aniline
CID 63944729
N-tridecan-6-ylaniline
CID 151143089
ethyl 4-(hexadecan-3-ylamino)benzoate
CID 23457806
N-heptan-3-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 63944718
N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide
CID 63945935

Frequently Asked Questions

What is the IUPAC name of N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline?
The IUPAC name of N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline (CID 167054950) is N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline.
What is the SMILES notation for N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline?
The canonical SMILES for N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline is CCCCCC(CC)Nc1ccc(-c2ccon2)cc1.
What is the InChIKey of N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline?
The InChIKey is RSLHVPUHZVAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-5-6-7-15(4-2)18-16-10-8-14(9-11-16)17-12-13-20-19-17/h8-13,15,18H,3-7H2,1-2H3.
What are the key properties of N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline?
N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline has a molecular weight of 272.39 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline is sourced from PubChem (CID 167054950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).