5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole

C17H17NO4S — CID 42891337

IUPAC5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole
SMILESCOc1ccc(C)cc1CS(=O)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C17H17NO4S/c1-12-5-6-15(20-2)13(8-12)10-23(19)11-14-9-17(22-18-14)16-4-3-7-21-16/h3-9H,10-11H2,1-2H3
InChIKeySNEZBNHWAPZXKU-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.70
Rot. Bonds6

About 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole

5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole (PubChem CID 42891337) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole
PubChem CID42891337
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole
SMILESCOc1ccc(C)cc1CS(=O)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C17H17NO4S/c1-12-5-6-15(20-2)13(8-12)10-23(19)11-14-9-17(22-18-14)16-4-3-7-21-16/h3-9H,10-11H2,1-2H3
InChIKeySNEZBNHWAPZXKU-UHFFFAOYSA-N
XLogP3.70
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 8543519
3-[(5-chloro-2-methoxyphenyl)methylsulfinylmethyl]-5-methyl-1,2-oxazole
CID 56827604
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-4-methoxybenzamide
CID 18089227
3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole
CID 86923060
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608053
5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
CID 112797313
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
3-(furan-2-yl)-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 7629920
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 9019172
(Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine
CID 9354663

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole (CID 42891337) is 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole is COc1ccc(C)cc1CS(=O)Cc1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole?
The InChIKey is SNEZBNHWAPZXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12-5-6-15(20-2)13(8-12)10-23(19)11-14-9-17(22-18-14)16-4-3-7-21-16/h3-9H,10-11H2,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole?
5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole has a molecular weight of 331.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole is sourced from PubChem (CID 42891337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).