3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol

C11H14N2O2S — CID 64805790

IUPAC3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1nc2ccccc2o1
InChIInChI=1S/C11H14N2O2S/c1-12-8(6-14)7-16-11-13-9-4-2-3-5-10(9)15-11/h2-5,8,12,14H,6-7H2,1H3
InChIKeyUZHPQEVLACFJRF-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.50
Rot. Bonds5

About 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol

3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol (PubChem CID 64805790) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol
PubChem CID64805790
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1nc2ccccc2o1
InChIInChI=1S/C11H14N2O2S/c1-12-8(6-14)7-16-11-13-9-4-2-3-5-10(9)15-11/h2-5,8,12,14H,6-7H2,1H3
InChIKeyUZHPQEVLACFJRF-UHFFFAOYSA-N
XLogP1.50
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
CID 64805983
4-(1,3-benzoxazol-2-ylsulfanyl)-3-(propylamino)butan-1-ol
CID 64928930
1-(1,3-benzoxazol-2-ylsulfanyl)-N-propylbutan-2-amine
CID 64650346
1-(1,3-benzoxazol-2-ylsulfanyl)-3-methoxypropan-2-ol
CID 5333015
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
CID 55241119
4-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylbutane-1,3-diol
CID 23928188
3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloropropanoic acid
CID 3108359
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine
CID 64647808
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
CID 119085238
2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-2-phenylethanamine
CID 62578943

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol (CID 64805790) is 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol is CNC(CO)CSc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol?
The InChIKey is UZHPQEVLACFJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-12-8(6-14)7-16-11-13-9-4-2-3-5-10(9)15-11/h2-5,8,12,14H,6-7H2,1H3.
What are the key properties of 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol?
3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64805790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).