N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine

C14H21N3O — CID 133275489

IUPACN-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNc1nc2ccccc2o1)C(C)C
InChIInChI=1S/C14H21N3O/c1-4-17(11(2)3)10-9-15-14-16-12-7-5-6-8-13(12)18-14/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyOAHUHCSESSIUPS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.97
Rot. Bonds6

About N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine

N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 133275489) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID133275489
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNc1nc2ccccc2o1)C(C)C
InChIInChI=1S/C14H21N3O/c1-4-17(11(2)3)10-9-15-14-16-12-7-5-6-8-13(12)18-14/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyOAHUHCSESSIUPS-UHFFFAOYSA-N
XLogP2.97
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine 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-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine (CID 133275489) is N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine is CCN(CCNc1nc2ccccc2o1)C(C)C.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is OAHUHCSESSIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-17(11(2)3)10-9-15-14-16-12-7-5-6-8-13(12)18-14/h5-8,11H,4,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine?
N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 247.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 133275489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).