N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine

C15H21N3O — CID 115309571

IUPACN-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine
SMILESNCC(Nc1nc2ccccc2o1)C1CCCCC1
InChIInChI=1S/C15H21N3O/c16-10-13(11-6-2-1-3-7-11)18-15-17-12-8-4-5-9-14(12)19-15/h4-5,8-9,11,13H,1-3,6-7,10,16H2,(H,17,18)
InChIKeyOCFQSTPDUDJLGP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.15
Rot. Bonds4

About N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine

N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine (PubChem CID 115309571) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine
PubChem CID115309571
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine
SMILESNCC(Nc1nc2ccccc2o1)C1CCCCC1
InChIInChI=1S/C15H21N3O/c16-10-13(11-6-2-1-3-7-11)18-15-17-12-8-4-5-9-14(12)19-15/h4-5,8-9,11,13H,1-3,6-7,10,16H2,(H,17,18)
InChIKeyOCFQSTPDUDJLGP-UHFFFAOYSA-N
XLogP3.15
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine (CID 115309571) is N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine is NCC(Nc1nc2ccccc2o1)C1CCCCC1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine?
The InChIKey is OCFQSTPDUDJLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-10-13(11-6-2-1-3-7-11)18-15-17-12-8-4-5-9-14(12)19-15/h4-5,8-9,11,13H,1-3,6-7,10,16H2,(H,17,18).
What are the key properties of N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine?
N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine has a molecular weight of 259.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 115309571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).