2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

C20H28ClN3O3 — CID 119260585

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-14-19(15(2)26-23-14)13-25-18-5-3-16(4-6-18)11-20(24)22-10-8-17-7-9-21-12-17;/h3-6,17,21H,7-13H2,1-2H3,(H,22,24);1H
InChIKeyMDHGSVWPDIYYFW-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.95
Rot. Bonds8

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119260585) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119260585
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-14-19(15(2)26-23-14)13-25-18-5-3-16(4-6-18)11-20(24)22-10-8-17-7-9-21-12-17;/h3-6,17,21H,7-13H2,1-2H3,(H,22,24);1H
InChIKeyMDHGSVWPDIYYFW-UHFFFAOYSA-N
XLogP2.95
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119261110
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260422
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 4785185
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7398980
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
N-(2,3-dimethylcyclohexyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 46539815
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (CID 119260585) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is Cc1noc(C)c1COc1ccc(CC(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is MDHGSVWPDIYYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-14-19(15(2)26-23-14)13-25-18-5-3-16(4-6-18)11-20(24)22-10-8-17-7-9-21-12-17;/h3-6,17,21H,7-13H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119260585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).