5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide

C19H15ClF2N2O4 — CID 42527110

IUPAC5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)NCc2ccc(F)c(F)c2)no1
InChIInChI=1S/C19H15ClF2N2O4/c1-26-18-7-12(20)3-5-17(18)27-10-13-8-16(24-28-13)19(25)23-9-11-2-4-14(21)15(22)6-11/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyNOPYBIJAJBAISS-UHFFFAOYSA-N
MW408.79 g/mol
LogP4.12
Rot. Bonds7

About 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide

5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42527110) has the molecular formula C19H15ClF2N2O4 and a molecular weight of 408.79 g/mol. Its IUPAC name is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID42527110
Molecular FormulaC19H15ClF2N2O4
Molecular Weight408.79 g/mol
Exact Mass408.07
IUPAC Name5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)NCc2ccc(F)c(F)c2)no1
InChIInChI=1S/C19H15ClF2N2O4/c1-26-18-7-12(20)3-5-17(18)27-10-13-8-16(24-28-13)19(25)23-9-11-2-4-14(21)15(22)6-11/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyNOPYBIJAJBAISS-UHFFFAOYSA-N
XLogP4.12
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42516266
5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56760139
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
CID 24553270
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46066297
5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23761441
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 68746957

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide (CID 42527110) is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide is COc1cc(Cl)ccc1OCc1cc(C(=O)NCc2ccc(F)c(F)c2)no1.
What is the InChIKey of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NOPYBIJAJBAISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O4/c1-26-18-7-12(20)3-5-17(18)27-10-13-8-16(24-28-13)19(25)23-9-11-2-4-14(21)15(22)6-11/h2-8H,9-10H2,1H3,(H,23,25).
What are the key properties of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 408.79 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42527110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).