3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol

C14H18N2O2S — CID 64806196

IUPAC3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol
SMILESCC(CO)(CSc1nc2ccccc2o1)NC1CC1
InChIInChI=1S/C14H18N2O2S/c1-14(8-17,16-10-6-7-10)9-19-13-15-11-4-2-3-5-12(11)18-13/h2-5,10,16-17H,6-9H2,1H3
InChIKeyGDFRZKAWSKOPPZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.42
Rot. Bonds6

About 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol

3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol (PubChem CID 64806196) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol
PubChem CID64806196
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol
SMILESCC(CO)(CSc1nc2ccccc2o1)NC1CC1
InChIInChI=1S/C14H18N2O2S/c1-14(8-17,16-10-6-7-10)9-19-13-15-11-4-2-3-5-12(11)18-13/h2-5,10,16-17H,6-9H2,1H3
InChIKeyGDFRZKAWSKOPPZ-UHFFFAOYSA-N
XLogP2.42
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol
CID 64807049
3-(1,3-benzoxazol-2-ylsulfanyl)-2-cyclopropyl-2-(methylamino)propanamide
CID 63915747
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 7756295
2-(3,3-dimethylbutylsulfanyl)-1,3-benzoxazole
CID 69292158
N-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]cyclopentanamine
CID 62577459
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate
CID 7805149
3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64805790
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine
CID 104523422
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
CID 119085238
N-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methylcyclohexan-1-amine
CID 62577042
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 890231

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol (CID 64806196) is 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol is CC(CO)(CSc1nc2ccccc2o1)NC1CC1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The InChIKey is GDFRZKAWSKOPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(8-17,16-10-6-7-10)9-19-13-15-11-4-2-3-5-12(11)18-13/h2-5,10,16-17H,6-9H2,1H3.
What are the key properties of 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol?
3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol has a molecular weight of 278.38 g/mol, XLogP of 2.42, 6 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-(cyclopropylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 64806196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).