[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

C22H29N3O4 — CID 55427955

IUPAC[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
SMILESCc1ccc(-c2nnc(CCC(=O)OC(C)C(=O)NCC3CCCCC3)o2)cc1
InChIInChI=1S/C22H29N3O4/c1-15-8-10-18(11-9-15)22-25-24-19(29-22)12-13-20(26)28-16(2)21(27)23-14-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-14H2,1-2H3,(H,23,27)
InChIKeyFMXOGVQJRPKPLM-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.61
Rot. Bonds8

About [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate (PubChem CID 55427955) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate.

Molecular Properties

Compound Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
PubChem CID55427955
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
SMILESCc1ccc(-c2nnc(CCC(=O)OC(C)C(=O)NCC3CCCCC3)o2)cc1
InChIInChI=1S/C22H29N3O4/c1-15-8-10-18(11-9-15)22-25-24-19(29-22)12-13-20(26)28-16(2)21(27)23-14-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-14H2,1-2H3,(H,23,27)
InChIKeyFMXOGVQJRPKPLM-UHFFFAOYSA-N
XLogP3.61
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427650
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 46660046
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
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N-[(1R,2R)-2-methylcyclohexyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9084484
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427827
N-[3-(cyclopropylmethoxy)propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18120975
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
CID 46794502
1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427986
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46678571
1-cyclopentyl-3-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiourea
CID 9090178
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7558904
N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate (CID 55427955) is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate.
What is the SMILES notation for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The canonical SMILES for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate is Cc1ccc(-c2nnc(CCC(=O)OC(C)C(=O)NCC3CCCCC3)o2)cc1.
What is the InChIKey of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The InChIKey is FMXOGVQJRPKPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-15-8-10-18(11-9-15)22-25-24-19(29-22)12-13-20(26)28-16(2)21(27)23-14-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-14H2,1-2H3,(H,23,27).
What are the key properties of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate has a molecular weight of 399.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate is sourced from PubChem (CID 55427955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).