N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C18H17ClN2O4 — CID 90599903

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOC(C)(CNC(=O)c1cc(-c2ccco2)on1)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O4/c1-18(23-2,12-5-3-6-13(19)9-12)11-20-17(22)14-10-16(25-21-14)15-7-4-8-24-15/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyXIXHFVNGILVKIA-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.88
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 90599903) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID90599903
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOC(C)(CNC(=O)c1cc(-c2ccco2)on1)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O4/c1-18(23-2,12-5-3-6-13(19)9-12)11-20-17(22)14-10-16(25-21-14)15-7-4-8-24-15/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyXIXHFVNGILVKIA-UHFFFAOYSA-N
XLogP3.88
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 47257374
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
CID 90599898
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
5-(furan-2-yl)-N-(2-hydroxy-2-methylpentyl)-1,2-oxazole-3-carboxamide
CID 103712832
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103843592
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 90599903) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is COC(C)(CNC(=O)c1cc(-c2ccco2)on1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XIXHFVNGILVKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-18(23-2,12-5-3-6-13(19)9-12)11-20-17(22)14-10-16(25-21-14)15-7-4-8-24-15/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90599903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).