[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C18H21ClN2O5 — CID 45214951

IUPAC[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(COc3ccc(Cl)cc3OC)on2)C1
InChIInChI=1S/C18H21ClN2O5/c1-23-10-12-5-6-21(9-12)18(22)15-8-14(26-20-15)11-25-16-4-3-13(19)7-17(16)24-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyBRZDPXXYAZKLKZ-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.02
Rot. Bonds7

About [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 45214951) has the molecular formula C18H21ClN2O5 and a molecular weight of 380.83 g/mol. Its IUPAC name is [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID45214951
Molecular FormulaC18H21ClN2O5
Molecular Weight380.83 g/mol
Exact Mass380.11
IUPAC Name[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(COc3ccc(Cl)cc3OC)on2)C1
InChIInChI=1S/C18H21ClN2O5/c1-23-10-12-5-6-21(9-12)18(22)15-8-14(26-20-15)11-25-16-4-3-13(19)7-17(16)24-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyBRZDPXXYAZKLKZ-UHFFFAOYSA-N
XLogP3.02
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 24817225
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42196298
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone;hydrochloride
CID 119486917
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092
(4-chloro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263315
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 45214951) is [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2cc(COc3ccc(Cl)cc3OC)on2)C1.
What is the InChIKey of [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BRZDPXXYAZKLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5/c1-23-10-12-5-6-21(9-12)18(22)15-8-14(26-20-15)11-25-16-4-3-13(19)7-17(16)24-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3.
What are the key properties of [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 380.83 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45214951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).