N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C18H22ClN3O2 — CID 124610117

IUPACN-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)o1
InChIInChI=1S/C18H22ClN3O2/c1-12-21-22-17(24-12)11-16(23)20-18(13-6-3-2-4-7-13)14-8-5-9-15(19)10-14/h5,8-10,13,18H,2-4,6-7,11H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyOMRJUWZTBAJYHK-GOSISDBHSA-N
MW347.85 g/mol
LogP4.01
Rot. Bonds5

About N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 124610117) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID124610117
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)o1
InChIInChI=1S/C18H22ClN3O2/c1-12-21-22-17(24-12)11-16(23)20-18(13-6-3-2-4-7-13)14-8-5-9-15(19)10-14/h5,8-10,13,18H,2-4,6-7,11H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyOMRJUWZTBAJYHK-GOSISDBHSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)-cyclopentylmethyl]-3-[(5-methyl-1,2-oxazol-4-yl)methyl]urea;cyclopentane;ethane
CID 170580426
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide
CID 170580069
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide
CID 170580171
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 170578752
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 124610117) is N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)o1.
What is the InChIKey of N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is OMRJUWZTBAJYHK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-21-22-17(24-12)11-16(23)20-18(13-6-3-2-4-7-13)14-8-5-9-15(19)10-14/h5,8-10,13,18H,2-4,6-7,11H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 347.85 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 124610117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).