5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide

C21H23N3O4 — CID 71737702

IUPAC5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1cccc(OCc2cc(C(=O)N(C)C(C)c3ccccn3)no2)c1
InChIInChI=1S/C21H23N3O4/c1-4-26-16-8-7-9-17(12-16)27-14-18-13-20(23-28-18)21(25)24(3)15(2)19-10-5-6-11-22-19/h5-13,15H,4,14H2,1-3H3
InChIKeyLBNLFVXLWHPGGH-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.88
Rot. Bonds8

About 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide

5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 71737702) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID71737702
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1cccc(OCc2cc(C(=O)N(C)C(C)c3ccccn3)no2)c1
InChIInChI=1S/C21H23N3O4/c1-4-26-16-8-7-9-17(12-16)27-14-18-13-20(23-28-18)21(25)24(3)15(2)19-10-5-6-11-22-19/h5-13,15H,4,14H2,1-3H3
InChIKeyLBNLFVXLWHPGGH-UHFFFAOYSA-N
XLogP3.88
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56715383
5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 71737753
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 45205519
5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42192580
5-[(4-acetylphenoxy)methyl]-N-[1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 45174646
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45208387
2-(3-fluorophenoxy)-N-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 86857457
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45241731
N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 95221527
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70760488

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide (CID 71737702) is 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide is CCOc1cccc(OCc2cc(C(=O)N(C)C(C)c3ccccn3)no2)c1.
What is the InChIKey of 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LBNLFVXLWHPGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-26-16-8-7-9-17(12-16)27-14-18-13-20(23-28-18)21(25)24(3)15(2)19-10-5-6-11-22-19/h5-13,15H,4,14H2,1-3H3.
What are the key properties of 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71737702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).