[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate

C18H20N2O5 — CID 3224124

IUPAC[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate
SMILESCOc1ccc(C(OC(=O)c2ccno2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H20N2O5/c1-23-14-8-6-12(7-9-14)16(17(21)20-13-4-2-3-5-13)24-18(22)15-10-11-19-25-15/h6-11,13,16H,2-5H2,1H3,(H,20,21)
InChIKeyNIFNANZVFXORKO-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.64
Rot. Bonds6

About [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate

[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate (PubChem CID 3224124) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate
PubChem CID3224124
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate
SMILESCOc1ccc(C(OC(=O)c2ccno2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H20N2O5/c1-23-14-8-6-12(7-9-14)16(17(21)20-13-4-2-3-5-13)24-18(22)15-10-11-19-25-15/h6-11,13,16H,2-5H2,1H3,(H,20,21)
InChIKeyNIFNANZVFXORKO-UHFFFAOYSA-N
XLogP2.64
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 1444651
[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 1455054
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538154
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
N-cyclobutyl-1,2-oxazole-5-carboxamide
CID 126857173
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904
[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 43817592
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 16599980
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate (CID 3224124) is [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate is COc1ccc(C(OC(=O)c2ccno2)C(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate?
The InChIKey is NIFNANZVFXORKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-14-8-6-12(7-9-14)16(17(21)20-13-4-2-3-5-13)24-18(22)15-10-11-19-25-15/h6-11,13,16H,2-5H2,1H3,(H,20,21).
What are the key properties of [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate?
[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate is sourced from PubChem (CID 3224124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).