2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol

C12H15NO2S — CID 116852345

IUPAC2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol
SMILESCc1nc2cc(SC(C)(C)CO)ccc2o1
InChIInChI=1S/C12H15NO2S/c1-8-13-10-6-9(4-5-11(10)15-8)16-12(2,3)7-14/h4-6,14H,7H2,1-3H3
InChIKeyOPROBKLFPFDZAJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol

2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol (PubChem CID 116852345) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol
PubChem CID116852345
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol
SMILESCc1nc2cc(SC(C)(C)CO)ccc2o1
InChIInChI=1S/C12H15NO2S/c1-8-13-10-6-9(4-5-11(10)15-8)16-12(2,3)7-14/h4-6,14H,7H2,1-3H3
InChIKeyOPROBKLFPFDZAJ-UHFFFAOYSA-N
XLogP3.00
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine
CID 116853551
3-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propanoic acid
CID 116852886
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
CID 115133411
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 130731567
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
CID 115134171
2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
CID 116836117
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
3-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,3-diamine
CID 115200643

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol (CID 116852345) is 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol is Cc1nc2cc(SC(C)(C)CO)ccc2o1.
What is the InChIKey of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol?
The InChIKey is OPROBKLFPFDZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-8-13-10-6-9(4-5-11(10)15-8)16-12(2,3)7-14/h4-6,14H,7H2,1-3H3.
What are the key properties of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol?
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 116852345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).