(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

C17H20ClN3O3 — CID 124514067

IUPAC(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1
InChIInChI=1S/C17H20ClN3O3/c1-3-14-16(11(2)20-24-14)19-17(22)21-9-8-12(10-21)23-15-7-5-4-6-13(15)18/h4-7,12H,3,8-10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyJFRGHGBJIRQNTI-GFCCVEGCSA-N
MW349.82 g/mol
LogP3.88
Rot. Bonds4

About (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 124514067) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID124514067
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1
InChIInChI=1S/C17H20ClN3O3/c1-3-14-16(11(2)20-24-14)19-17(22)21-9-8-12(10-21)23-15-7-5-4-6-13(15)18/h4-7,12H,3,8-10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyJFRGHGBJIRQNTI-GFCCVEGCSA-N
XLogP3.88
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184
(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 124620229
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102685
2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide
CID 99636556
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
CID 126785969
4-(2-chlorophenoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867845
3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 126783238
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 70715112
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
CID 70771967
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (CID 124514067) is (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is CCc1onc(C)c1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1.
What is the InChIKey of (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is JFRGHGBJIRQNTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-3-14-16(11(2)20-24-14)19-17(22)21-9-8-12(10-21)23-15-7-5-4-6-13(15)18/h4-7,12H,3,8-10H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124514067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).