N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine

C13H16N2O2 — CID 62351549

IUPACN-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCC3CCOCC3)nc2c1
InChIInChI=1S/C13H16N2O2/c1-2-4-12-11(3-1)15-13(17-12)14-9-10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H,14,15)
InChIKeyYEUXTPZMUZVRPN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.67
Rot. Bonds3

About N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine

N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine (PubChem CID 62351549) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
PubChem CID62351549
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCC3CCOCC3)nc2c1
InChIInChI=1S/C13H16N2O2/c1-2-4-12-11(3-1)15-13(17-12)14-9-10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H,14,15)
InChIKeyYEUXTPZMUZVRPN-UHFFFAOYSA-N
XLogP2.67
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminobenzoxazole
CID 20707
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
L 696040
CID 131887
N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
CID 6420159
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(2-chlorophenyl)-1,3-benzoxazol-2-amine
CID 714839
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
Benzoxazole, 2-amino-5-fluoro-
CID 15516
N-methyl-1,3-benzoxazol-2-amine
CID 590605
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
CID 664331
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine (CID 62351549) is N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine is c1ccc2oc(NCC3CCOCC3)nc2c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine?
The InChIKey is YEUXTPZMUZVRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-4-12-11(3-1)15-13(17-12)14-9-10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H,14,15).
What are the key properties of N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine?
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine has a molecular weight of 232.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 62351549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).