2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide

C20H21N3O4 — CID 70758920

IUPAC2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)Cc2cc(-c3cccnc3)no2)c1
InChIInChI=1S/C20H21N3O4/c1-23(13-17-11-18(22-27-17)14-5-4-8-21-12-14)20(24)10-15-9-16(25-2)6-7-19(15)26-3/h4-9,11-12H,10,13H2,1-3H3
InChIKeyZMAZBFVDRNQYEJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.95
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide

2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 70758920) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID70758920
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)Cc2cc(-c3cccnc3)no2)c1
InChIInChI=1S/C20H21N3O4/c1-23(13-17-11-18(22-27-17)14-5-4-8-21-12-14)20(24)10-15-9-16(25-2)6-7-19(15)26-3/h4-9,11-12H,10,13H2,1-3H3
InChIKeyZMAZBFVDRNQYEJ-UHFFFAOYSA-N
XLogP2.95
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072
6-amino-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 70776271
methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97188414
2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 50971650
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 91790461
2-(4-methoxyphenyl)-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143050
N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
CID 91773666
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 131910648

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 70758920) is 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide is COc1ccc(OC)c(CC(=O)N(C)Cc2cc(-c3cccnc3)no2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is ZMAZBFVDRNQYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-23(13-17-11-18(22-27-17)14-5-4-8-21-12-14)20(24)10-15-9-16(25-2)6-7-19(15)26-3/h4-9,11-12H,10,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 70758920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).