1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea

C18H18N4O4S — CID 110319446

IUPAC1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C18H18N4O4S/c1-12-6-8-15(9-7-12)27(24,25)22-18(23)19-11-16-20-21-17(26-16)14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H2,19,22,23)
InChIKeyBHTNRTZNTGYEOK-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.54
Rot. Bonds5

About 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea

1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 110319446) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID110319446
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C18H18N4O4S/c1-12-6-8-15(9-7-12)27(24,25)22-18(23)19-11-16-20-21-17(26-16)14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H2,19,22,23)
InChIKeyBHTNRTZNTGYEOK-UHFFFAOYSA-N
XLogP2.54
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 110319492
2-chloro-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319423
1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
CID 19387723
2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319392
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110319435
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide
CID 110319445
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319409
1-(4-methylphenyl)-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321378
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea (CID 110319446) is 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCc2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is BHTNRTZNTGYEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-12-6-8-15(9-7-12)27(24,25)22-18(23)19-11-16-20-21-17(26-16)14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H2,19,22,23).
What are the key properties of 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea?
1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 386.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110319446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).