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

C19H26ClN3O3 — CID 119260422

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCC2CCCN2)cc1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-13-18(14(2)25-22-13)12-24-17-7-5-15(6-8-17)10-19(23)21-11-16-4-3-9-20-16;/h5-8,16,20H,3-4,9-12H2,1-2H3,(H,21,23);1H
InChIKeyJZLABJDHPQKQHS-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.70
Rot. Bonds7

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

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119260422) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119260422
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCC2CCCN2)cc1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-13-18(14(2)25-22-13)12-24-17-7-5-15(6-8-17)10-19(23)21-11-16-4-3-9-20-16;/h5-8,16,20H,3-4,9-12H2,1-2H3,(H,21,23);1H
InChIKeyJZLABJDHPQKQHS-UHFFFAOYSA-N
XLogP2.70
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084624
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
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-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260585
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 43027748
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771148
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-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-pentylacetamide
CID 26532652
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124834964
N-[2-(aminomethyl)cyclopentyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119261004

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119260422) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cc1noc(C)c1COc1ccc(CC(=O)NCC2CCCN2)cc1.Cl.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is JZLABJDHPQKQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-13-18(14(2)25-22-13)12-24-17-7-5-15(6-8-17)10-19(23)21-11-16-4-3-9-20-16;/h5-8,16,20H,3-4,9-12H2,1-2H3,(H,21,23);1H.
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.70, 7 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-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119260422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).