N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide

C16H19N3O2 — CID 9084335

IUPACN-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-2-3-5-14(11)18-15(20)12-6-8-13(9-7-12)16-19-17-10-21-16/h6-11,14H,2-5H2,1H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyZADJSSHYFYUNRE-BXUZGUMPSA-N
MW285.35 g/mol
LogP3.05
Rot. Bonds3

About N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide

N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 9084335) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID9084335
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-2-3-5-14(11)18-15(20)12-6-8-13(9-7-12)16-19-17-10-21-16/h6-11,14H,2-5H2,1H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyZADJSSHYFYUNRE-BXUZGUMPSA-N
XLogP3.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206385
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
N-(2-methylcyclohexyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206430
2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid
CID 62697061
N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916814
N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 46651476

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide (CID 9084335) is N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide is C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnco2)cc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ZADJSSHYFYUNRE-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-2-3-5-14(11)18-15(20)12-6-8-13(9-7-12)16-19-17-10-21-16/h6-11,14H,2-5H2,1H3,(H,18,20)/t11-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 9084335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).