1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

C18H15F3N4O5S — CID 2808955

IUPAC1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)no1
InChIInChI=1S/C18H15F3N4O5S/c1-11-10-16(24-30-11)25-31(27,28)15-8-4-13(5-9-15)23-17(26)22-12-2-6-14(7-3-12)29-18(19,20)21/h2-10H,1H3,(H,24,25)(H2,22,23,26)
InChIKeyCTFRNZZOKRIXBI-UHFFFAOYSA-N
MW456.40 g/mol
LogP4.33
Rot. Bonds6

About 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 2808955) has the molecular formula C18H15F3N4O5S and a molecular weight of 456.40 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID2808955
Molecular FormulaC18H15F3N4O5S
Molecular Weight456.40 g/mol
Exact Mass456.07
IUPAC Name1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)no1
InChIInChI=1S/C18H15F3N4O5S/c1-11-10-16(24-30-11)25-31(27,28)15-8-4-13(5-9-15)23-17(26)22-12-2-6-14(7-3-12)29-18(19,20)21/h2-10H,1H3,(H,24,25)(H2,22,23,26)
InChIKeyCTFRNZZOKRIXBI-UHFFFAOYSA-N
XLogP4.33
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 5113422
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1010376
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
2,2,3,3-tetramethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 25035324
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 42426801
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366090
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
CID 1181036

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 2808955) is 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)no1.
What is the InChIKey of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is CTFRNZZOKRIXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O5S/c1-11-10-16(24-30-11)25-31(27,28)15-8-4-13(5-9-15)23-17(26)22-12-2-6-14(7-3-12)29-18(19,20)21/h2-10H,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 456.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 2808955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).