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

C11H19NOS — CID 21060320

IUPAC4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSCC(C)(C)C
InChIInChI=1S/C11H19NOS/c1-8-10(9(2)13-12-8)6-14-7-11(3,4)5/h6-7H2,1-5H3
InChIKeySTKXEKKKISRQGM-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.57
Rot. Bonds3

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

4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 21060320) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
PubChem CID21060320
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSCC(C)(C)C
InChIInChI=1S/C11H19NOS/c1-8-10(9(2)13-12-8)6-14-7-11(3,4)5/h6-7H2,1-5H3
InChIKeySTKXEKKKISRQGM-UHFFFAOYSA-N
XLogP3.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine
CID 66220682
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66224289
N-tert-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 51139661
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
CID 59539646
(2S)-2-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 107773582
N-cyano-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 79194350
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484487
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 35696308
4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 59882082
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole (CID 21060320) is 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CSCC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is STKXEKKKISRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8-10(9(2)13-12-8)6-14-7-11(3,4)5/h6-7H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 213.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 21060320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).