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

C16H14N4O2 — CID 110318453

IUPAC1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESO=C(NCc1nnc(-c2ccccc2)o1)Nc1ccccc1
InChIInChI=1S/C16H14N4O2/c21-16(18-13-9-5-2-6-10-13)17-11-14-19-20-15(22-14)12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21)
InChIKeyHKLOALUCROXSHP-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.06
Rot. Bonds4

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

1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 110318453) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID110318453
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESO=C(NCc1nnc(-c2ccccc2)o1)Nc1ccccc1
InChIInChI=1S/C16H14N4O2/c21-16(18-13-9-5-2-6-10-13)17-11-14-19-20-15(22-14)12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21)
InChIKeyHKLOALUCROXSHP-UHFFFAOYSA-N
XLogP3.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
CID 9188540
1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110615846
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111618143
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115571323
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 110318453) is 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea is O=C(NCc1nnc(-c2ccccc2)o1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is HKLOALUCROXSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(18-13-9-5-2-6-10-13)17-11-14-19-20-15(22-14)12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21).
What are the key properties of 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 294.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 110318453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).