4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole

C10H15NO4S — CID 166307266

IUPAC4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole
SMILESCOc1noc(C)c1CS(=O)(=O)CC1CC1
InChIInChI=1S/C10H15NO4S/c1-7-9(10(14-2)11-15-7)6-16(12,13)5-8-3-4-8/h8H,3-6H2,1-2H3
InChIKeyTXPHPNJTQZJPFZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.32
Rot. Bonds5

About 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole

4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole (PubChem CID 166307266) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole
PubChem CID166307266
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole
SMILESCOc1noc(C)c1CS(=O)(=O)CC1CC1
InChIInChI=1S/C10H15NO4S/c1-7-9(10(14-2)11-15-7)6-16(12,13)5-8-3-4-8/h8H,3-6H2,1-2H3
InChIKeyTXPHPNJTQZJPFZ-UHFFFAOYSA-N
XLogP1.32
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-methoxy-5-methyl-1,2-oxazole
CID 122546056
4-bromo-5-(cyclohexylmethylsulfonylmethyl)-3-methyl-1,2-oxazole
CID 167971874
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86923030
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine
CID 82181181
2-bromo-4-(cyclopropylmethylsulfonylmethyl)-1-methylbenzene
CID 167808848
4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125172
propylsulfonylmethylcyclopropane
CID 20644601
3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one
CID 82601925
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 121197474
3-methoxy-5-methyl-4-piperidin-3-yl-1,2-oxazole
CID 130117599
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole?
The IUPAC name of 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole (CID 166307266) is 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole?
The canonical SMILES for 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole is COc1noc(C)c1CS(=O)(=O)CC1CC1.
What is the InChIKey of 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole?
The InChIKey is TXPHPNJTQZJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-7-9(10(14-2)11-15-7)6-16(12,13)5-8-3-4-8/h8H,3-6H2,1-2H3.
What are the key properties of 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole?
4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole has a molecular weight of 245.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylsulfonylmethyl)-3-methoxy-5-methyl-1,2-oxazole is sourced from PubChem (CID 166307266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).