5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

C17H20ClN3O3 — CID 53181908

IUPAC5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1(c2nc(C)no2)CCCCC1
InChIInChI=1S/C17H20ClN3O3/c1-11-19-16(24-21-11)17(8-4-3-5-9-17)20-15(22)13-10-12(18)6-7-14(13)23-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyOFSCNXBYMAHVES-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.63
Rot. Bonds4

About 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (PubChem CID 53181908) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
PubChem CID53181908
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1(c2nc(C)no2)CCCCC1
InChIInChI=1S/C17H20ClN3O3/c1-11-19-16(24-21-11)17(8-4-3-5-9-17)20-15(22)13-10-12(18)6-7-14(13)23-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyOFSCNXBYMAHVES-UHFFFAOYSA-N
XLogP3.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607625
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91174298
N-(5-chloro-2-methoxyphenyl)-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetamide
CID 47075222
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
N-[1-(3-chlorophenyl)cyclopropyl]-2-methoxybenzamide
CID 110443934
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55528408
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
CID 118780861

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (CID 53181908) is 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is COc1ccc(Cl)cc1C(=O)NC1(c2nc(C)no2)CCCCC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The InChIKey is OFSCNXBYMAHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11-19-16(24-21-11)17(8-4-3-5-9-17)20-15(22)13-10-12(18)6-7-14(13)23-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide has a molecular weight of 349.82 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is sourced from PubChem (CID 53181908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).