1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea

C17H22N4O2 — CID 25421760

IUPAC1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESC[C@H](NC(=O)NC1CCCCC1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H22N4O2/c1-12(18-17(22)19-14-10-6-3-7-11-14)16-20-15(21-23-16)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,18,19,22)/t12-/m0/s1
InChIKeyBVJSDLUAGQEZKM-LBPRGKRZSA-N
MW314.39 g/mol
LogP3.43
Rot. Bonds4

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

1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 25421760) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID25421760
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESC[C@H](NC(=O)NC1CCCCC1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H22N4O2/c1-12(18-17(22)19-14-10-6-3-7-11-14)16-20-15(21-23-16)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,18,19,22)/t12-/m0/s1
InChIKeyBVJSDLUAGQEZKM-LBPRGKRZSA-N
XLogP3.43
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 25421760) is 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea is C[C@H](NC(=O)NC1CCCCC1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is BVJSDLUAGQEZKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(18-17(22)19-14-10-6-3-7-11-14)16-20-15(21-23-16)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,18,19,22)/t12-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 25421760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).