2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine

C15H18N2O2 — CID 43686399

IUPAC2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NC1CCOCC1
InChIInChI=1S/C15H18N2O2/c1-2-10(1)15-17-13-9-12(3-4-14(13)19-15)16-11-5-7-18-8-6-11/h3-4,9-11,16H,1-2,5-8H2
InChIKeyAHIJESXIIJVDGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.30
Rot. Bonds3

About 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine

2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine (PubChem CID 43686399) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
PubChem CID43686399
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NC1CCOCC1
InChIInChI=1S/C15H18N2O2/c1-2-10(1)15-17-13-9-12(3-4-14(13)19-15)16-11-5-7-18-8-6-11/h3-4,9-11,16H,1-2,5-8H2
InChIKeyAHIJESXIIJVDGW-UHFFFAOYSA-N
XLogP3.30
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine (CID 43686399) is 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine is c1cc2oc(C3CC3)nc2cc1NC1CCOCC1.
What is the InChIKey of 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine?
The InChIKey is AHIJESXIIJVDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-10(1)15-17-13-9-12(3-4-14(13)19-15)16-11-5-7-18-8-6-11/h3-4,9-11,16H,1-2,5-8H2.
What are the key properties of 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine has a molecular weight of 258.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43686399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).