[3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone

C22H29N3O4 — CID 91919970

IUPAC[3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(OCCC2CCN(C(=O)c3cc(CN4CCOCC4)on3)C2)cc1
InChIInChI=1S/C22H29N3O4/c1-17-2-4-19(5-3-17)28-11-7-18-6-8-25(15-18)22(26)21-14-20(29-23-21)16-24-9-12-27-13-10-24/h2-5,14,18H,6-13,15-16H2,1H3
InChIKeyVLEJOIGBJAFMQG-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.75
Rot. Bonds7

About [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone

[3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 91919970) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone
PubChem CID91919970
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name[3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(OCCC2CCN(C(=O)c3cc(CN4CCOCC4)on3)C2)cc1
InChIInChI=1S/C22H29N3O4/c1-17-2-4-19(5-3-17)28-11-7-18-6-8-25(15-18)22(26)21-14-20(29-23-21)16-24-9-12-27-13-10-24/h2-5,14,18H,6-13,15-16H2,1H3
InChIKeyVLEJOIGBJAFMQG-UHFFFAOYSA-N
XLogP2.75
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 56755434
[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56715974
N-methyl-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56741639
(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
N-[2-(4-ethoxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950937
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91919964
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 25301894
2-(4-fluorophenoxy)-1-[4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 112826219
[(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97459952
[4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
CID 91919984

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone (CID 91919970) is [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone is Cc1ccc(OCCC2CCN(C(=O)c3cc(CN4CCOCC4)on3)C2)cc1.
What is the InChIKey of [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is VLEJOIGBJAFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-17-2-4-19(5-3-17)28-11-7-18-6-8-25(15-18)22(26)21-14-20(29-23-21)16-24-9-12-27-13-10-24/h2-5,14,18H,6-13,15-16H2,1H3.
What are the key properties of [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone?
[3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 399.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 91919970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).