1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea

C17H16N4O4S — CID 142402048

IUPAC1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3cnco3)cc2)nc1
InChIInChI=1S/C17H16N4O4S/c1-12-2-7-16(19-8-12)26(23,24)15-5-3-13(4-6-15)21-17(22)20-10-14-9-18-11-25-14/h2-9,11H,10H2,1H3,(H2,20,21,22)
InChIKeyXDYVIIYUVAGBLD-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.53
Rot. Bonds5

About 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea

1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea (PubChem CID 142402048) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
PubChem CID142402048
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3cnco3)cc2)nc1
InChIInChI=1S/C17H16N4O4S/c1-12-2-7-16(19-8-12)26(23,24)15-5-3-13(4-6-15)21-17(22)20-10-14-9-18-11-25-14/h2-9,11H,10H2,1H3,(H2,20,21,22)
InChIKeyXDYVIIYUVAGBLD-UHFFFAOYSA-N
XLogP2.53
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-oxazol-5-ylmethyl)-3-[4-[2-[4-[4-[3-[4-(1,3-oxazol-5-ylmethylcarbamoylamino)phenyl]sulfonylphenyl]phenyl]phenyl]phenyl]sulfonylphenyl]urea
CID 135231477
1-[4-(3,4-difluorophenyl)sulfanylphenyl]-3-(1,3-oxazol-5-ylmethyl)urea
CID 135231588
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
6-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 53002958
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
CID 135231204
N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide
CID 52905714
1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea
CID 171824773
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfanyl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
CID 135231359
1-[4-[(2-methyl-3-pyridinyl)sulfonyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610637
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 47032733
6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 52905736
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea?
The IUPAC name of 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea (CID 142402048) is 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea?
The canonical SMILES for 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea is Cc1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3cnco3)cc2)nc1.
What is the InChIKey of 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea?
The InChIKey is XDYVIIYUVAGBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-12-2-7-16(19-8-12)26(23,24)15-5-3-13(4-6-15)21-17(22)20-10-14-9-18-11-25-14/h2-9,11H,10H2,1H3,(H2,20,21,22).
What are the key properties of 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea?
1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea has a molecular weight of 372.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea is sourced from PubChem (CID 142402048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).