N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C19H15ClN4O2 — CID 42569706

IUPACN-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C19H15ClN4O2/c20-14-7-5-12(6-8-14)10-22-18(25)19-23-17(24-26-19)9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11,21H,9-10H2,(H,22,25)
InChIKeyVYVBDLZQHNQSJO-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.73
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42569706) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42569706
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C19H15ClN4O2/c20-14-7-5-12(6-8-14)10-22-18(25)19-23-17(24-26-19)9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11,21H,9-10H2,(H,22,25)
InChIKeyVYVBDLZQHNQSJO-UHFFFAOYSA-N
XLogP3.73
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569344
3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42582058
3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534589
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833207
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818937
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
3-[2-(4-chlorophenyl)sulfonylethyl]-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133847
N-benzyl-3-[2-[(4-chlorophenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818782
N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42534928
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 135653937

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 42569706) is N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1nc(Cc2c[nH]c3ccccc23)no1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VYVBDLZQHNQSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-14-7-5-12(6-8-14)10-22-18(25)19-23-17(24-26-19)9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11,21H,9-10H2,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42569706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).