N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide

C18H22ClN3O2 — CID 125167167

IUPACN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C18H22ClN3O2/c1-2-16-17(21-12-24-16)18(23)20-11-15(22-9-3-4-10-22)13-5-7-14(19)8-6-13/h5-8,12,15H,2-4,9-11H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyIJXIAKKBCVLNEJ-OAHLLOKOSA-N
MW347.85 g/mol
LogP3.46
Rot. Bonds6

About N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 125167167) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID125167167
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C18H22ClN3O2/c1-2-16-17(21-12-24-16)18(23)20-11-15(22-9-3-4-10-22)13-5-7-14(19)8-6-13/h5-8,12,15H,2-4,9-11H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyIJXIAKKBCVLNEJ-OAHLLOKOSA-N
XLogP3.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 97454362
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39865815
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 42414912
5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 139003076
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 39866693
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 43843501
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 122563662
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 39867171
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 125167167) is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is IJXIAKKBCVLNEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-2-16-17(21-12-24-16)18(23)20-11-15(22-9-3-4-10-22)13-5-7-14(19)8-6-13/h5-8,12,15H,2-4,9-11H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide?
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 125167167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).