N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide

C24H21ClN2O4 — CID 23613551

IUPACN-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)no2)cc1
InChIInChI=1S/C24H21ClN2O4/c1-2-29-20-11-7-18(8-12-20)23-14-22(26-31-23)24(28)27(16-21-4-3-13-30-21)15-17-5-9-19(25)10-6-17/h3-14H,2,15-16H2,1H3
InChIKeyYSAALTROKVXVCC-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.83
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 23613551) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID23613551
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)no2)cc1
InChIInChI=1S/C24H21ClN2O4/c1-2-29-20-11-7-18(8-12-20)23-14-22(26-31-23)24(28)27(16-21-4-3-13-30-21)15-17-5-9-19(25)10-6-17/h3-14H,2,15-16H2,1H3
InChIKeyYSAALTROKVXVCC-UHFFFAOYSA-N
XLogP5.83
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 35133566
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51065323
N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866174
N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51069903
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]thiourea
CID 4089065
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111699
3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 42822310

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 23613551) is N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)no2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YSAALTROKVXVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-2-29-20-11-7-18(8-12-20)23-14-22(26-31-23)24(28)27(16-21-4-3-13-30-21)15-17-5-9-19(25)10-6-17/h3-14H,2,15-16H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23613551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).