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

C16H20N4O2 — CID 47033580

IUPAC1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2nnco2)c1)NC1CCCCCC1
InChIInChI=1S/C16H20N4O2/c21-16(18-13-7-3-1-2-4-8-13)19-14-9-5-6-12(10-14)15-20-17-11-22-15/h5-6,9-11,13H,1-4,7-8H2,(H2,18,19,21)
InChIKeyHAWOXOLAQAGYBE-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.58
Rot. Bonds3

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

1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 47033580) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID47033580
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2nnco2)c1)NC1CCCCCC1
InChIInChI=1S/C16H20N4O2/c21-16(18-13-7-3-1-2-4-8-13)19-14-9-5-6-12(10-14)15-20-17-11-22-15/h5-6,9-11,13H,1-4,7-8H2,(H2,18,19,21)
InChIKeyHAWOXOLAQAGYBE-UHFFFAOYSA-N
XLogP3.58
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 110748367
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1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
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N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
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1-(3-aminophenyl)-3-cyclopentylurea
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1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea
CID 135329900
1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone
CID 43770533
N-cyclopropyl-2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36993349
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
N-(2-methylcyclohexyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206430
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea (CID 47033580) is 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea is O=C(Nc1cccc(-c2nnco2)c1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is HAWOXOLAQAGYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(18-13-7-3-1-2-4-8-13)19-14-9-5-6-12(10-14)15-20-17-11-22-15/h5-6,9-11,13H,1-4,7-8H2,(H2,18,19,21).
What are the key properties of 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 47033580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).