N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide

C21H21ClN2O4 — CID 51065323

IUPACN-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCC(C)Oc3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C21H21ClN2O4/c1-3-26-17-8-4-15(5-9-17)20-12-19(24-28-20)21(25)23-13-14(2)27-18-10-6-16(22)7-11-18/h4-12,14H,3,13H2,1-2H3,(H,23,25)
InChIKeyBGNRVBCEWSFAKU-UHFFFAOYSA-N
MW400.86 g/mol
LogP4.59
Rot. Bonds8

About N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide

N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 51065323) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID51065323
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC NameN-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCC(C)Oc3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C21H21ClN2O4/c1-3-26-17-8-4-15(5-9-17)20-12-19(24-28-20)21(25)23-13-14(2)27-18-10-6-16(22)7-11-18/h4-12,14H,3,13H2,1-2H3,(H,23,25)
InChIKeyBGNRVBCEWSFAKU-UHFFFAOYSA-N
XLogP4.59
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866174
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866714
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39866513
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
N-[2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 46969246
N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 51591839

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 51065323) is N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)NCC(C)Oc3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BGNRVBCEWSFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-3-26-17-8-4-15(5-9-17)20-12-19(24-28-20)21(25)23-13-14(2)27-18-10-6-16(22)7-11-18/h4-12,14H,3,13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 400.86 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51065323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).