1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea

C16H20N4O4S — CID 72913778

IUPAC1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
SMILESO=C(NCCS(=O)(=O)N1CCCC1)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H20N4O4S/c21-16(18-6-9-25(22,23)20-7-1-2-8-20)19-14-5-3-4-13(10-14)15-11-17-12-24-15/h3-5,10-12H,1-2,6-9H2,(H2,18,19,21)
InChIKeyJKWCHAGGFOWOIJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.89
Rot. Bonds6

About 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea

1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea (PubChem CID 72913778) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
PubChem CID72913778
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
SMILESO=C(NCCS(=O)(=O)N1CCCC1)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H20N4O4S/c21-16(18-6-9-25(22,23)20-7-1-2-8-20)19-14-5-3-4-13(10-14)15-11-17-12-24-15/h3-5,10-12H,1-2,6-9H2,(H2,18,19,21)
InChIKeyJKWCHAGGFOWOIJ-UHFFFAOYSA-N
XLogP1.89
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
CID 118782533
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
1-[2-(azepan-1-ylsulfonyl)ethyl]-3-(4-chlorophenyl)urea
CID 110346031
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986715
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834624
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea
CID 72899675
(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 95350172
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834748
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 64823770

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea?
The IUPAC name of 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea (CID 72913778) is 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea.
What is the SMILES notation for 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea?
The canonical SMILES for 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea is O=C(NCCS(=O)(=O)N1CCCC1)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea?
The InChIKey is JKWCHAGGFOWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c21-16(18-6-9-25(22,23)20-7-1-2-8-20)19-14-5-3-4-13(10-14)15-11-17-12-24-15/h3-5,10-12H,1-2,6-9H2,(H2,18,19,21).
What are the key properties of 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea?
1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea has a molecular weight of 364.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea is sourced from PubChem (CID 72913778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).