N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide

C16H19N3O3 — CID 5084468

IUPACN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)C3CCCCC3)o2)c1
InChIInChI=1S/C16H19N3O3/c1-21-13-9-5-8-12(10-13)15-18-19-16(22-15)17-14(20)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,17,19,20)
InChIKeyLAYNSUCYWMQHHL-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.26
Rot. Bonds4

About N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 5084468) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
PubChem CID5084468
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)C3CCCCC3)o2)c1
InChIInChI=1S/C16H19N3O3/c1-21-13-9-5-8-12(10-13)15-18-19-16(22-15)17-14(20)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,17,19,20)
InChIKeyLAYNSUCYWMQHHL-UHFFFAOYSA-N
XLogP3.26
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 4443990
5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 256462
3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
CID 3303968
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]butanamide
CID 5058055
3-fluoro-N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4626316
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5076360
3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 691744
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 2104218
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158928

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (CID 5084468) is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is COc1cccc(-c2nnc(NC(=O)C3CCCCC3)o2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is LAYNSUCYWMQHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-13-9-5-8-12(10-13)15-18-19-16(22-15)17-14(20)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 5084468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).