1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone

C21H29N3O4 — CID 60509738

IUPAC1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CN(C)Cc2c(C)noc2C)c(OC)c1
InChIInChI=1S/C21H29N3O4/c1-14-18(15(2)28-22-14)12-23(3)13-21(25)24-10-6-7-19(24)17-9-8-16(26-4)11-20(17)27-5/h8-9,11,19H,6-7,10,12-13H2,1-5H3
InChIKeyQYHBEZPLAFXZSD-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.10
Rot. Bonds7

About 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone (PubChem CID 60509738) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
PubChem CID60509738
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CN(C)Cc2c(C)noc2C)c(OC)c1
InChIInChI=1S/C21H29N3O4/c1-14-18(15(2)28-22-14)12-23(3)13-21(25)24-10-6-7-19(24)17-9-8-16(26-4)11-20(17)27-5/h8-9,11,19H,6-7,10,12-13H2,1-5H3
InChIKeyQYHBEZPLAFXZSD-UHFFFAOYSA-N
XLogP3.10
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 47862645
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41323095
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 55853111
1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 8793275
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(2,5-dimethylpyrrol-1-yl)propan-1-one
CID 124879737
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41292877
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 55565941
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
3-[[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 119912252
4-amino-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120587380
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone (CID 60509738) is 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone is COc1ccc(C2CCCN2C(=O)CN(C)Cc2c(C)noc2C)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone?
The InChIKey is QYHBEZPLAFXZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-14-18(15(2)28-22-14)12-23(3)13-21(25)24-10-6-7-19(24)17-9-8-16(26-4)11-20(17)27-5/h8-9,11,19H,6-7,10,12-13H2,1-5H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone?
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone has a molecular weight of 387.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone is sourced from PubChem (CID 60509738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).