ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate

C18H22N4O4 — CID 51112701

IUPACethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NC2(c3noc(C)n3)CCCC2)c1
InChIInChI=1S/C18H22N4O4/c1-3-25-17(24)20-14-8-6-7-13(11-14)15(23)21-18(9-4-5-10-18)16-19-12(2)26-22-16/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYTCUHXMKAKZSFL-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.15
Rot. Bonds5

About ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate

ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate (PubChem CID 51112701) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate
PubChem CID51112701
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Nameethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NC2(c3noc(C)n3)CCCC2)c1
InChIInChI=1S/C18H22N4O4/c1-3-25-17(24)20-14-8-6-7-13(11-14)15(23)21-18(9-4-5-10-18)16-19-12(2)26-22-16/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYTCUHXMKAKZSFL-UHFFFAOYSA-N
XLogP3.15
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775568
N-ethyl-3-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]acetyl]amino]benzamide
CID 47084608
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
3-(cyclopropylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 55980465
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55528409
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate
CID 78847777
2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid
CID 120822527

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate (CID 51112701) is ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)NC2(c3noc(C)n3)CCCC2)c1.
What is the InChIKey of ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate?
The InChIKey is YTCUHXMKAKZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-25-17(24)20-14-8-6-7-13(11-14)15(23)21-18(9-4-5-10-18)16-19-12(2)26-22-16/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate?
ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate has a molecular weight of 358.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 51112701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).