4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole

C10H17NOS — CID 59882082

IUPAC4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCCC(C)SCc1c(C)noc1C
InChIInChI=1S/C10H17NOS/c1-5-7(2)13-6-10-8(3)11-12-9(10)4/h7H,5-6H2,1-4H3
InChIKeyRFJOAYVDVYKYII-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.32
Rot. Bonds4

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

4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 59882082) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
PubChem CID59882082
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCCC(C)SCc1c(C)noc1C
InChIInChI=1S/C10H17NOS/c1-5-7(2)13-6-10-8(3)11-12-9(10)4/h7H,5-6H2,1-4H3
InChIKeyRFJOAYVDVYKYII-UHFFFAOYSA-N
XLogP3.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.32
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
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-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 21060320
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 86915899
1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 65141299
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
3,5-dimethyl-4-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2-oxazole
CID 112785398
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole (CID 59882082) is 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole is CCC(C)SCc1c(C)noc1C.
What is the InChIKey of 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is RFJOAYVDVYKYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-5-7(2)13-6-10-8(3)11-12-9(10)4/h7H,5-6H2,1-4H3.
What are the key properties of 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 199.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 59882082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).