2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol

C13H16N2O2 — CID 60967481

IUPAC2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
SMILESOCCN(Cc1nc2ccccc2o1)C1CC1
InChIInChI=1S/C13H16N2O2/c16-8-7-15(10-5-6-10)9-13-14-11-3-1-2-4-12(11)17-13/h1-4,10,16H,5-9H2
InChIKeyIRZPCJHRRVJJEH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.78
Rot. Bonds5

About 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol

2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol (PubChem CID 60967481) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
PubChem CID60967481
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
SMILESOCCN(Cc1nc2ccccc2o1)C1CC1
InChIInChI=1S/C13H16N2O2/c16-8-7-15(10-5-6-10)9-13-14-11-3-1-2-4-12(11)17-13/h1-4,10,16H,5-9H2
InChIKeyIRZPCJHRRVJJEH-UHFFFAOYSA-N
XLogP1.78
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoxazole
CID 9228
2-Methylbenzoxazole
CID 7225
2-Chlorobenzoxazole
CID 11986
L 696229
CID 72352
L 696040
CID 131887
3,3'-Diethyloxacarbocyanine iodide
CID 6538326
3,3'-Diethyloxadicarbocyanine iodide
CID 5702692
2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454408
2(1H)-Pyridinone, 5-ethyl-3-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454411
3-[(4,7-difluoro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 454413
3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
CID 454432
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethylsulfanyl-6-methyl-1H-pyridin-2-one
CID 454433

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol?
The IUPAC name of 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol (CID 60967481) is 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol.
What is the SMILES notation for 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol?
The canonical SMILES for 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol is OCCN(Cc1nc2ccccc2o1)C1CC1.
What is the InChIKey of 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol?
The InChIKey is IRZPCJHRRVJJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-8-7-15(10-5-6-10)9-13-14-11-3-1-2-4-12(11)17-13/h1-4,10,16H,5-9H2.
What are the key properties of 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol?
2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol has a molecular weight of 232.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol is sourced from PubChem (CID 60967481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).