3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one

C19H22ClN3O4 — CID 167810316

IUPAC3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=C(N1CCOC(c2noc(=O)[nH]2)C1)C1(Cc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C19H22ClN3O4/c20-14-5-3-4-13(10-14)11-19(6-1-2-7-19)17(24)23-8-9-26-15(12-23)16-21-18(25)27-22-16/h3-5,10,15H,1-2,6-9,11-12H2,(H,21,22,25)
InChIKeyDOCPBEGUFHLWIV-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.72
Rot. Bonds4

About 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 167810316) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID167810316
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=C(N1CCOC(c2noc(=O)[nH]2)C1)C1(Cc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C19H22ClN3O4/c20-14-5-3-4-13(10-14)11-19(6-1-2-7-19)17(24)23-8-9-26-15(12-23)16-21-18(25)27-22-16/h3-5,10,15H,1-2,6-9,11-12H2,(H,21,22,25)
InChIKeyDOCPBEGUFHLWIV-UHFFFAOYSA-N
XLogP2.72
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 119411301
[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623522
(1-benzylcyclobutyl)-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998146
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 120807217
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
CID 71914349
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone;hydrochloride
CID 119663102
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 119248198
ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate
CID 42507715
3-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132717
[1-[(3-fluorophenyl)methyl]cyclohexyl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 126810198
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 126783216

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one (CID 167810316) is 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one is O=C(N1CCOC(c2noc(=O)[nH]2)C1)C1(Cc2cccc(Cl)c2)CCCC1.
What is the InChIKey of 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is DOCPBEGUFHLWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c20-14-5-3-4-13(10-14)11-19(6-1-2-7-19)17(24)23-8-9-26-15(12-23)16-21-18(25)27-22-16/h3-5,10,15H,1-2,6-9,11-12H2,(H,21,22,25).
What are the key properties of 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 391.86 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 167810316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).