N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline

C16H20N2O2 — CID 60934839

IUPACN-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline
SMILESCOC1CCCCC1Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H20N2O2/c1-19-15-8-3-2-7-14(15)18-13-6-4-5-12(9-13)16-10-17-11-20-16/h4-6,9-11,14-15,18H,2-3,7-8H2,1H3
InChIKeyBVSOSRYEPJQPGQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.71
Rot. Bonds4

About N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline

N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline (PubChem CID 60934839) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline
PubChem CID60934839
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline
SMILESCOC1CCCCC1Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H20N2O2/c1-19-15-8-3-2-7-14(15)18-13-6-4-5-12(9-13)16-10-17-11-20-16/h4-6,9-11,14-15,18H,2-3,7-8H2,1H3
InChIKeyBVSOSRYEPJQPGQ-UHFFFAOYSA-N
XLogP3.71
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline (CID 60934839) is N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline is COC1CCCCC1Nc1cccc(-c2cnco2)c1.
What is the InChIKey of N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is BVSOSRYEPJQPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-15-8-3-2-7-14(15)18-13-6-4-5-12(9-13)16-10-17-11-20-16/h4-6,9-11,14-15,18H,2-3,7-8H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline?
N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 272.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 60934839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).