1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea

C15H14N4O2S — CID 71800478

IUPAC1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea
SMILESCc1noc(Cc2ccccc2NC(=O)Nc2cccs2)n1
InChIInChI=1S/C15H14N4O2S/c1-10-16-13(21-19-10)9-11-5-2-3-6-12(11)17-15(20)18-14-7-4-8-22-14/h2-8H,9H2,1H3,(H2,17,18,20)
InChIKeyMNZDVPNINJHPAS-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.67
Rot. Bonds4

About 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea (PubChem CID 71800478) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea
PubChem CID71800478
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea
SMILESCc1noc(Cc2ccccc2NC(=O)Nc2cccs2)n1
InChIInChI=1S/C15H14N4O2S/c1-10-16-13(21-19-10)9-11-5-2-3-6-12(11)17-15(20)18-14-7-4-8-22-14/h2-8H,9H2,1H3,(H2,17,18,20)
InChIKeyMNZDVPNINJHPAS-UHFFFAOYSA-N
XLogP3.67
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
CID 90561999
1-phenyl-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563863
1-(4-butoxyphenyl)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800485
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90562094
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90562143
(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
CID 97414224
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea (CID 71800478) is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea is Cc1noc(Cc2ccccc2NC(=O)Nc2cccs2)n1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea?
The InChIKey is MNZDVPNINJHPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-16-13(21-19-10)9-11-5-2-3-6-12(11)17-15(20)18-14-7-4-8-22-14/h2-8H,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea?
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea has a molecular weight of 314.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 71800478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).