4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol

C9H15NO2S — CID 106923624

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1nc(SCCCCO)oc1C
InChIInChI=1S/C9H15NO2S/c1-7-8(2)12-9(10-7)13-6-4-3-5-11/h11H,3-6H2,1-2H3
InChIKeyQBKQMSMSZUNQIX-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.16
Rot. Bonds5

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol (PubChem CID 106923624) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol
PubChem CID106923624
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1nc(SCCCCO)oc1C
InChIInChI=1S/C9H15NO2S/c1-7-8(2)12-9(10-7)13-6-4-3-5-11/h11H,3-6H2,1-2H3
InChIKeyQBKQMSMSZUNQIX-UHFFFAOYSA-N
XLogP2.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide
CID 106926298
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol
CID 103867892
ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920911
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
CID 106926292
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2-methylpropan-2-amine
CID 106924288
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(ethylamino)-2-methylpentanoic acid
CID 106925390
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 106924815
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate
CID 103607414
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol
CID 106928156
2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
CID 131207208

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol (CID 106923624) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol is Cc1nc(SCCCCO)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol?
The InChIKey is QBKQMSMSZUNQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7-8(2)12-9(10-7)13-6-4-3-5-11/h11H,3-6H2,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 106923624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).