N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

C18H13ClN4O2 — CID 42534928

IUPACN-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H13ClN4O2/c19-14-5-1-11(2-6-14)10-21-17(24)18-22-16(23-25-18)13-4-3-12-7-8-20-15(12)9-13/h1-9,20H,10H2,(H,21,24)
InChIKeyOHMLWEYMXFQTPA-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.80
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42534928) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42534928
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H13ClN4O2/c19-14-5-1-11(2-6-14)10-21-17(24)18-22-16(23-25-18)13-4-3-12-7-8-20-15(12)9-13/h1-9,20H,10H2,(H,21,24)
InChIKeyOHMLWEYMXFQTPA-UHFFFAOYSA-N
XLogP3.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (CID 42534928) is N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OHMLWEYMXFQTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-14-5-1-11(2-6-14)10-21-17(24)18-22-16(23-25-18)13-4-3-12-7-8-20-15(12)9-13/h1-9,20H,10H2,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 3.80, 4 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-6-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42534928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).