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

C18H14Cl2N2O4 — CID 71733460

IUPACN-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Oc3ccc(Cl)cc3O)c(Cl)c2)no1
InChIInChI=1S/C18H14Cl2N2O4/c1-10-6-14(22-26-10)18(24)21-9-11-2-4-16(13(20)7-11)25-17-5-3-12(19)8-15(17)23/h2-8,23H,9H2,1H3,(H,21,24)
InChIKeyYGWUVEHWSJSEOT-UHFFFAOYSA-N
MW393.23 g/mol
LogP4.72
Rot. Bonds5

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

N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71733460) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71733460
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC NameN-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Oc3ccc(Cl)cc3O)c(Cl)c2)no1
InChIInChI=1S/C18H14Cl2N2O4/c1-10-6-14(22-26-10)18(24)21-9-11-2-4-16(13(20)7-11)25-17-5-3-12(19)8-15(17)23/h2-8,23H,9H2,1H3,(H,21,24)
InChIKeyYGWUVEHWSJSEOT-UHFFFAOYSA-N
XLogP4.72
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71733461
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369569
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51333269
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109119955
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109370199

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71733460) is N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(Oc3ccc(Cl)cc3O)c(Cl)c2)no1.
What is the InChIKey of N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YGWUVEHWSJSEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c1-10-6-14(22-26-10)18(24)21-9-11-2-4-16(13(20)7-11)25-17-5-3-12(19)8-15(17)23/h2-8,23H,9H2,1H3,(H,21,24).
What are the key properties of N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 393.23 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71733460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).