N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine

C14H19N3O — CID 102874494

IUPACN'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
SMILESNCCCN(c1nc2ccccc2o1)C1CCC1
InChIInChI=1S/C14H19N3O/c15-9-4-10-17(11-5-3-6-11)14-16-12-7-1-2-8-13(12)18-14/h1-2,7-8,11H,3-6,9-10,15H2
InChIKeyAIGZAPCMUHEIJO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.54
Rot. Bonds5

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

N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine (PubChem CID 102874494) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
PubChem CID102874494
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
SMILESNCCCN(c1nc2ccccc2o1)C1CCC1
InChIInChI=1S/C14H19N3O/c15-9-4-10-17(11-5-3-6-11)14-16-12-7-1-2-8-13(12)18-14/h1-2,7-8,11H,3-6,9-10,15H2
InChIKeyAIGZAPCMUHEIJO-UHFFFAOYSA-N
XLogP2.54
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol
CID 54999201
N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975
N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
CID 61034495
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636
N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine
CID 86794329
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472
N'-(1,3-benzoxazol-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 61033078
N'-(oxan-4-yl)-N'-phenylpropane-1,3-diamine
CID 63935814
N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 55174769
N'-cyclopentyl-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877562
N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine
CID 69368653

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine?
The IUPAC name of N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine (CID 102874494) is N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine.
What is the SMILES notation for N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine?
The canonical SMILES for N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine is NCCCN(c1nc2ccccc2o1)C1CCC1.
What is the InChIKey of N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine?
The InChIKey is AIGZAPCMUHEIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-9-4-10-17(11-5-3-6-11)14-16-12-7-1-2-8-13(12)18-14/h1-2,7-8,11H,3-6,9-10,15H2.
What are the key properties of N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine?
N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.54, 5 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'-cyclobutylpropane-1,3-diamine is sourced from PubChem (CID 102874494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).