1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine

C13H15N3O — CID 96601239

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine
SMILESNC1CN(c2cccc3nc(C4CC4)oc23)C1
InChIInChI=1S/C13H15N3O/c14-9-6-16(7-9)11-3-1-2-10-12(11)17-13(15-10)8-4-5-8/h1-3,8-9H,4-7,14H2
InChIKeyDHBWAWXQCOJRQZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.85
Rot. Bonds2

About 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine

1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine (PubChem CID 96601239) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine
PubChem CID96601239
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine
SMILESNC1CN(c2cccc3nc(C4CC4)oc23)C1
InChIInChI=1S/C13H15N3O/c14-9-6-16(7-9)11-3-1-2-10-12(11)17-13(15-10)8-4-5-8/h1-3,8-9H,4-7,14H2
InChIKeyDHBWAWXQCOJRQZ-UHFFFAOYSA-N
XLogP1.85
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
CID 83887429
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
1-(2-methoxyquinolin-5-yl)azetidin-3-amine
CID 96601238
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551979
2-(7-bromo-1,3-benzoxazol-2-yl)cycloheptan-1-amine
CID 81497432
6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
CID 82232727
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076
1-(3-chloro-2-methylphenyl)azetidin-3-amine
CID 117002816
4-(2-cyclopropyl-5-nitro-1,3-benzoxazol-7-yl)-2-methylisoquinolin-1-one
CID 122623675
cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323731
4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine
CID 116999923

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine (CID 96601239) is 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine is NC1CN(c2cccc3nc(C4CC4)oc23)C1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine?
The InChIKey is DHBWAWXQCOJRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-9-6-16(7-9)11-3-1-2-10-12(11)17-13(15-10)8-4-5-8/h1-3,8-9H,4-7,14H2.
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine?
1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine has a molecular weight of 229.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine is sourced from PubChem (CID 96601239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).