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

C18H13ClN4O3S — CID 86957867

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)co2)cs1
InChIInChI=1S/C18H13ClN4O3S/c1-10-21-14(9-27-10)15-6-12(8-25-15)18(24)20-7-16-22-17(23-26-16)11-2-4-13(19)5-3-11/h2-6,8-9H,7H2,1H3,(H,20,24)
InChIKeyWSJJGFAWDCIDSC-UHFFFAOYSA-N
MW400.85 g/mol
LogP4.34
Rot. Bonds5

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide (PubChem CID 86957867) has the molecular formula C18H13ClN4O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
PubChem CID86957867
Molecular FormulaC18H13ClN4O3S
Molecular Weight400.85 g/mol
Exact Mass400.04
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)co2)cs1
InChIInChI=1S/C18H13ClN4O3S/c1-10-21-14(9-27-10)15-6-12(8-25-15)18(24)20-7-16-22-17(23-26-16)11-2-4-13(19)5-3-11/h2-6,8-9H,7H2,1H3,(H,20,24)
InChIKeyWSJJGFAWDCIDSC-UHFFFAOYSA-N
XLogP4.34
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
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1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 16571962
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
CID 111433798
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 86957961
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
2-(4-chlorophenyl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 86958001
2,6-dichloro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide (CID 86957867) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide is Cc1nc(-c2cc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)co2)cs1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide?
The InChIKey is WSJJGFAWDCIDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S/c1-10-21-14(9-27-10)15-6-12(8-25-15)18(24)20-7-16-22-17(23-26-16)11-2-4-13(19)5-3-11/h2-6,8-9H,7H2,1H3,(H,20,24).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide has a molecular weight of 400.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide is sourced from PubChem (CID 86957867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).