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

C19H20N2O4S — CID 110314851

IUPACN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide
SMILESCOc1cccc(-c2cc(CCNS(=O)(=O)Cc3ccccc3)no2)c1
InChIInChI=1S/C19H20N2O4S/c1-24-18-9-5-8-16(12-18)19-13-17(21-25-19)10-11-20-26(22,23)14-15-6-3-2-4-7-15/h2-9,12-13,20H,10-11,14H2,1H3
InChIKeyQLEJXDLCFAEZNK-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.01
Rot. Bonds8

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

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide (PubChem CID 110314851) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide
PubChem CID110314851
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide
SMILESCOc1cccc(-c2cc(CCNS(=O)(=O)Cc3ccccc3)no2)c1
InChIInChI=1S/C19H20N2O4S/c1-24-18-9-5-8-16(12-18)19-13-17(21-25-19)10-11-20-26(22,23)14-15-6-3-2-4-7-15/h2-9,12-13,20H,10-11,14H2,1H3
InChIKeyQLEJXDLCFAEZNK-UHFFFAOYSA-N
XLogP3.01
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.01
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]butane-1-sulfonamide
CID 110314836
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 110314845
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165481100
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylethanesulfonamide
CID 110324207
1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 16878971
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide (CID 110314851) is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide is COc1cccc(-c2cc(CCNS(=O)(=O)Cc3ccccc3)no2)c1.
What is the InChIKey of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide?
The InChIKey is QLEJXDLCFAEZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-24-18-9-5-8-16(12-18)19-13-17(21-25-19)10-11-20-26(22,23)14-15-6-3-2-4-7-15/h2-9,12-13,20H,10-11,14H2,1H3.
What are the key properties of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide?
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.01, 8 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110314851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).