5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide

C17H16ClN3O3 — CID 70714934

IUPAC5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H16ClN3O3/c1-3-21(10-16-19-11(2)20-24-16)17(22)15-9-8-14(23-15)12-6-4-5-7-13(12)18/h4-9H,3,10H2,1-2H3
InChIKeyKDWQOJDWZRXPRH-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.95
Rot. Bonds5

About 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 70714934) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
PubChem CID70714934
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H16ClN3O3/c1-3-21(10-16-19-11(2)20-24-16)17(22)15-9-8-14(23-15)12-6-4-5-7-13(12)18/h4-9H,3,10H2,1-2H3
InChIKeyKDWQOJDWZRXPRH-UHFFFAOYSA-N
XLogP3.95
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388273
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 24670493
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 119123052
5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 86978030
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 31285113
5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide
CID 133112296
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 50875111
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide
CID 110391269
5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 16560702

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (CID 70714934) is 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is CCN(Cc1nc(C)no1)C(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is KDWQOJDWZRXPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-3-21(10-16-19-11(2)20-24-16)17(22)15-9-8-14(23-15)12-6-4-5-7-13(12)18/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 70714934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).