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

C17H16N4O2 — CID 110319278

IUPAC1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
SMILESCc1ccccc1-c1nnc(CNC(=O)Nc2ccccc2)o1
InChIInChI=1S/C17H16N4O2/c1-12-7-5-6-10-14(12)16-21-20-15(23-16)11-18-17(22)19-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,18,19,22)
InChIKeyBACVLERVKCPPCQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.37
Rot. Bonds4

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

1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea (PubChem CID 110319278) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
PubChem CID110319278
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
SMILESCc1ccccc1-c1nnc(CNC(=O)Nc2ccccc2)o1
InChIInChI=1S/C17H16N4O2/c1-12-7-5-6-10-14(12)16-21-20-15(23-16)11-18-17(22)19-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,18,19,22)
InChIKeyBACVLERVKCPPCQ-UHFFFAOYSA-N
XLogP3.37
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110319287
1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
CID 9188540
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea
CID 110320970
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255
1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99633329
N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334212
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
CID 110334119

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea (CID 110319278) is 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea is Cc1ccccc1-c1nnc(CNC(=O)Nc2ccccc2)o1.
What is the InChIKey of 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea?
The InChIKey is BACVLERVKCPPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-7-5-6-10-14(12)16-21-20-15(23-16)11-18-17(22)19-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,18,19,22).
What are the key properties of 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea?
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea has a molecular weight of 308.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 110319278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).