N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide

C19H22N2O4 — CID 51070076

IUPACN-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2cc(CN(C(=O)C3CC3)C3CC3)no2)c(OC)c1
InChIInChI=1S/C19H22N2O4/c1-23-15-7-8-16(17(10-15)24-2)18-9-13(20-25-18)11-21(14-5-6-14)19(22)12-3-4-12/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyZEMGHBWIEQAZMG-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.26
Rot. Bonds7

About N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide

N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 51070076) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
PubChem CID51070076
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2cc(CN(C(=O)C3CC3)C3CC3)no2)c(OC)c1
InChIInChI=1S/C19H22N2O4/c1-23-15-7-8-16(17(10-15)24-2)18-9-13(20-25-18)11-21(14-5-6-14)19(22)12-3-4-12/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyZEMGHBWIEQAZMG-UHFFFAOYSA-N
XLogP3.26
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea
CID 51070084
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070066
N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]pentanamide
CID 46172189
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-methylacetamide
CID 42823000
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide
CID 42823001
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23799293
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93143277
3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111732
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143290

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide (CID 51070076) is N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide is COc1ccc(-c2cc(CN(C(=O)C3CC3)C3CC3)no2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is ZEMGHBWIEQAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-15-7-8-16(17(10-15)24-2)18-9-13(20-25-18)11-21(14-5-6-14)19(22)12-3-4-12/h7-10,12,14H,3-6,11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 51070076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).