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

C16H14ClN3O3 — CID 97137892

IUPAC5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide
SMILESCc1nnc([C@@H](C)NC(=O)c2ccc(-c3ccccc3Cl)o2)o1
InChIInChI=1S/C16H14ClN3O3/c1-9(16-20-19-10(2)22-16)18-15(21)14-8-7-13(23-14)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,21)/t9-/m1/s1
InChIKeyABLLIHABBPEMGL-SECBINFHSA-N
MW331.76 g/mol
LogP3.78
Rot. Bonds4

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

5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 97137892) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID97137892
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide
SMILESCc1nnc([C@@H](C)NC(=O)c2ccc(-c3ccccc3Cl)o2)o1
InChIInChI=1S/C16H14ClN3O3/c1-9(16-20-19-10(2)22-16)18-15(21)14-8-7-13(23-14)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,21)/t9-/m1/s1
InChIKeyABLLIHABBPEMGL-SECBINFHSA-N
XLogP3.78
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356
5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 16560702
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)furan-2-carboxamide
CID 18161050
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 1292402
5-(2-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 945346
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide (CID 97137892) is 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide is Cc1nnc([C@@H](C)NC(=O)c2ccc(-c3ccccc3Cl)o2)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is ABLLIHABBPEMGL-SECBINFHSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-9(16-20-19-10(2)22-16)18-15(21)14-8-7-13(23-14)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,21)/t9-/m1/s1.
What are the key properties of 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 97137892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).