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

C14H18N4O4S — CID 2730888

IUPAC1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H18N4O4S/c1-3-8-15-14(19)16-11-4-6-12(7-5-11)23(20,21)18-13-9-10(2)22-17-13/h4-7,9H,3,8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyAXPYSXTZHHBQBF-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.32
Rot. Bonds6

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

1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea (PubChem CID 2730888) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea
PubChem CID2730888
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H18N4O4S/c1-3-8-15-14(19)16-11-4-6-12(7-5-11)23(20,21)18-13-9-10(2)22-17-13/h4-7,9H,3,8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyAXPYSXTZHHBQBF-UHFFFAOYSA-N
XLogP2.32
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfamethoxazole
CID 5329
N(4)-acetylsulfamethoxazole
CID 65280
Sulfamethoxazole hydroxylamine
CID 114821
4-Nitrososulfamethoxazole
CID 125483
N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)cyclohexanecarboxamide
CID 1181036
4-[1-Butyramido-2,2,2-trifluoro-1-(trifluoromethyl)ethylamino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CID 536471
(2E)-N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamothioyl)-3-phenylprop-2-enamide
CID 1949759
Acetylsulfisomezole
CID 87725
N-dimethyl-sulfamethoxazole
CID 162661006
4-N-methyl-sulfamethoxazole
CID 43154654
4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
CID 647376
4-[(anilinocarbonyl)amino]-N-(5-methylisoxazol-3-yl)benzenesulfonamide
CID 1011844

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea?
The IUPAC name of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea (CID 2730888) is 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea?
The canonical SMILES for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea?
The InChIKey is AXPYSXTZHHBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-3-8-15-14(19)16-11-4-6-12(7-5-11)23(20,21)18-13-9-10(2)22-17-13/h4-7,9H,3,8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea?
1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea has a molecular weight of 338.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-propylurea is sourced from PubChem (CID 2730888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).