N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine

C15H20N2O — CID 52672975

IUPACN-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
SMILESCCN(c1nc2ccccc2o1)C1CCCCC1
InChIInChI=1S/C15H20N2O/c1-2-17(12-8-4-3-5-9-12)15-16-13-10-6-7-11-14(13)18-15/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyIPXYSWABJXGSRF-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.99
Rot. Bonds3

About N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine

N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine (PubChem CID 52672975) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
PubChem CID52672975
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
SMILESCCN(c1nc2ccccc2o1)C1CCCCC1
InChIInChI=1S/C15H20N2O/c1-2-17(12-8-4-3-5-9-12)15-16-13-10-6-7-11-14(13)18-15/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyIPXYSWABJXGSRF-UHFFFAOYSA-N
XLogP3.99
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine (CID 52672975) is N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine is CCN(c1nc2ccccc2o1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine?
The InChIKey is IPXYSWABJXGSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-17(12-8-4-3-5-9-12)15-16-13-10-6-7-11-14(13)18-15/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine?
N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine has a molecular weight of 244.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 52672975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).