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

C24H27N3O3 — CID 46457447

IUPACN-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)NC(c3ccccc3)C3CCCCC3)cc2)no1
InChIInChI=1S/C24H27N3O3/c1-17-25-22(27-30-17)16-29-21-14-12-20(13-15-21)24(28)26-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,23H,3,6-7,10-11,16H2,1H3,(H,26,28)
InChIKeyQXIILRFMJNWBFA-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.01
Rot. Bonds7

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

N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 46457447) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID46457447
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)NC(c3ccccc3)C3CCCCC3)cc2)no1
InChIInChI=1S/C24H27N3O3/c1-17-25-22(27-30-17)16-29-21-14-12-20(13-15-21)24(28)26-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,23H,3,6-7,10-11,16H2,1H3,(H,26,28)
InChIKeyQXIILRFMJNWBFA-UHFFFAOYSA-N
XLogP5.01
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 32893352
propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 55494116
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55590615
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 42392819
N-cycloheptyl-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 51075073
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
CID 55473566
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55950901
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 46457447) is N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)NC(c3ccccc3)C3CCCCC3)cc2)no1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is QXIILRFMJNWBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-25-22(27-30-17)16-29-21-14-12-20(13-15-21)24(28)26-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,23H,3,6-7,10-11,16H2,1H3,(H,26,28).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 405.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 46457447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).