4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide

C20H27N5O3 — CID 72885571

IUPAC4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)NCc2nc(C3CCCCC3)no2)c(C)c1
InChIInChI=1S/C20H27N5O3/c1-3-21-19(26)15-9-10-16(13(2)11-15)23-20(27)22-12-17-24-18(25-28-17)14-7-5-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,21,26)(H2,22,23,27)
InChIKeyTXXMOFPGQDLJOG-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.50
Rot. Bonds6

About 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide

4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide (PubChem CID 72885571) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide
PubChem CID72885571
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)NCc2nc(C3CCCCC3)no2)c(C)c1
InChIInChI=1S/C20H27N5O3/c1-3-21-19(26)15-9-10-16(13(2)11-15)23-20(27)22-12-17-24-18(25-28-17)14-7-5-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,21,26)(H2,22,23,27)
InChIKeyTXXMOFPGQDLJOG-UHFFFAOYSA-N
XLogP3.50
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 47088144
N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592
1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 72845388
1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea
CID 72844286
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide
CID 97210642
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 135117057
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide
CID 121021957
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 118788969
3-cyclohexyl-N-[2-[(3-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083401
3-cyclohexyl-N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083421
4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 60934848

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide (CID 72885571) is 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NC(=O)NCc2nc(C3CCCCC3)no2)c(C)c1.
What is the InChIKey of 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide?
The InChIKey is TXXMOFPGQDLJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-21-19(26)15-9-10-16(13(2)11-15)23-20(27)22-12-17-24-18(25-28-17)14-7-5-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,21,26)(H2,22,23,27).
What are the key properties of 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide?
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide has a molecular weight of 385.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 72885571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).