1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol

C12H16N2O3 — CID 54979252

IUPAC1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc2ccccc2o1
InChIInChI=1S/C12H16N2O3/c1-14(7-9(15)8-16-2)12-13-10-5-3-4-6-11(10)17-12/h3-6,9,15H,7-8H2,1-2H3
InChIKeyYGAOTLIZAOXUJW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.27
Rot. Bonds5

About 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol

1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol (PubChem CID 54979252) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
PubChem CID54979252
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc2ccccc2o1
InChIInChI=1S/C12H16N2O3/c1-14(7-9(15)8-16-2)12-13-10-5-3-4-6-11(10)17-12/h3-6,9,15H,7-8H2,1-2H3
InChIKeyYGAOTLIZAOXUJW-UHFFFAOYSA-N
XLogP1.27
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol (CID 54979252) is 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nc2ccccc2o1.
What is the InChIKey of 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol?
The InChIKey is YGAOTLIZAOXUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(7-9(15)8-16-2)12-13-10-5-3-4-6-11(10)17-12/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol?
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol has a molecular weight of 236.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 54979252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).