N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide

C16H22N2O4S — CID 110314836

IUPACN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C16H22N2O4S/c1-3-4-10-23(19,20)17-9-8-14-12-16(22-18-14)13-6-5-7-15(11-13)21-2/h5-7,11-12,17H,3-4,8-10H2,1-2H3
InChIKeyBAFJFWWKUWLOCH-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.61
Rot. Bonds9

About N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide (PubChem CID 110314836) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide
PubChem CID110314836
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C16H22N2O4S/c1-3-4-10-23(19,20)17-9-8-14-12-16(22-18-14)13-6-5-7-15(11-13)21-2/h5-7,11-12,17H,3-4,8-10H2,1-2H3
InChIKeyBAFJFWWKUWLOCH-UHFFFAOYSA-N
XLogP2.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide
CID 110314851
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 110314845
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165481100
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866990

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide (CID 110314836) is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide?
The InChIKey is BAFJFWWKUWLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-3-4-10-23(19,20)17-9-8-14-12-16(22-18-14)13-6-5-7-15(11-13)21-2/h5-7,11-12,17H,3-4,8-10H2,1-2H3.
What are the key properties of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide?
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110314836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).