2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole

C9H13NOS — CID 131207208

IUPAC2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(SCC2CC2)oc1C
InChIInChI=1S/C9H13NOS/c1-6-7(2)11-9(10-6)12-5-8-3-4-8/h8H,3-5H2,1-2H3
InChIKeyJQVCZISKHDAFFW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.79
Rot. Bonds3

About 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole

2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole (PubChem CID 131207208) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
PubChem CID131207208
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(SCC2CC2)oc1C
InChIInChI=1S/C9H13NOS/c1-6-7(2)11-9(10-6)12-5-8-3-4-8/h8H,3-5H2,1-2H3
InChIKeyJQVCZISKHDAFFW-UHFFFAOYSA-N
XLogP2.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile
CID 106924789
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 106927949
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol
CID 106923624
methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate
CID 106925447
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropan-1-amine
CID 106923898
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine
CID 106927874
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-N-ethylcyclopentan-1-amine
CID 106927973
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
CID 106926292
1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927993
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2-methylpropan-2-amine
CID 106924288

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole (CID 131207208) is 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole is Cc1nc(SCC2CC2)oc1C.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole?
The InChIKey is JQVCZISKHDAFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6-7(2)11-9(10-6)12-5-8-3-4-8/h8H,3-5H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole?
2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole has a molecular weight of 183.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 131207208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).