N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

C15H18N2O — CID 139771077

IUPACN-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCCNc1onc2c1C(c1ccccc1)CCC2
InChIInChI=1S/C15H18N2O/c1-2-16-15-14-12(11-7-4-3-5-8-11)9-6-10-13(14)17-18-15/h3-5,7-8,12,16H,2,6,9-10H2,1H3
InChIKeyVUPBPLFTCRQFHM-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.57
Rot. Bonds3

About N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 139771077) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound NameN-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID139771077
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCCNc1onc2c1C(c1ccccc1)CCC2
InChIInChI=1S/C15H18N2O/c1-2-16-15-14-12(11-7-4-3-5-8-11)9-6-10-13(14)17-18-15/h3-5,7-8,12,16H,2,6,9-10H2,1H3
InChIKeyVUPBPLFTCRQFHM-UHFFFAOYSA-N
XLogP3.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 139771077) is N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is CCNc1onc2c1C(c1ccccc1)CCC2.
What is the InChIKey of N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is VUPBPLFTCRQFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-16-15-14-12(11-7-4-3-5-8-11)9-6-10-13(14)17-18-15/h3-5,7-8,12,16H,2,6,9-10H2,1H3.
What are the key properties of N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine has a molecular weight of 242.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139771077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).