1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

C24H22N4O2 — CID 71800484

IUPAC1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESCc1noc(Cc2ccccc2NC(=O)NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H22N4O2/c1-17-25-22(30-28-17)16-20-14-8-9-15-21(20)26-24(29)27-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H2,26,27,29)
InChIKeyVJZWQGXNFXYJAF-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.88
Rot. Bonds6

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

1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 71800484) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
PubChem CID71800484
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESCc1noc(Cc2ccccc2NC(=O)NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H22N4O2/c1-17-25-22(30-28-17)16-20-14-8-9-15-21(20)26-24(29)27-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H2,26,27,29)
InChIKeyVJZWQGXNFXYJAF-UHFFFAOYSA-N
XLogP4.88
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 71800484) is 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is Cc1noc(Cc2ccccc2NC(=O)NC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The InChIKey is VJZWQGXNFXYJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-25-22(30-28-17)16-20-14-8-9-15-21(20)26-24(29)27-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H2,26,27,29).
What are the key properties of 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 398.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 71800484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).