N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide

C24H17ClN4O3 — CID 50841848

IUPACN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide
SMILESO=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C24H17ClN4O3/c25-18-8-6-16(7-9-18)24-29-28-22(32-24)14-31-20-3-1-2-19(13-20)27-23(30)17-5-4-15-10-11-26-21(15)12-17/h1-13,26H,14H2,(H,27,30)
InChIKeyHLMKMKUZWFQHHW-UHFFFAOYSA-N
MW444.88 g/mol
LogP5.70
Rot. Bonds6

About N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide

N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide (PubChem CID 50841848) has the molecular formula C24H17ClN4O3 and a molecular weight of 444.88 g/mol. Its IUPAC name is N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide
PubChem CID50841848
Molecular FormulaC24H17ClN4O3
Molecular Weight444.88 g/mol
Exact Mass444.10
IUPAC NameN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide
SMILESO=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C24H17ClN4O3/c25-18-8-6-16(7-9-18)24-29-28-22(32-24)14-31-20-3-1-2-19(13-20)27-23(30)17-5-4-15-10-11-26-21(15)12-17/h1-13,26H,14H2,(H,27,30)
InChIKeyHLMKMKUZWFQHHW-UHFFFAOYSA-N
XLogP5.70
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.88
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide with MolForge

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Related Compounds

methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]furan-3-carboxamide
CID 50841969
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 50841874
2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 50844203
N-(3-ethoxyphenyl)-1H-indole-5-carboxamide
CID 63718266
3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide
CID 50841818
N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide
CID 92900005
N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide
CID 50842053
N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide
CID 50841846
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
CID 50844071

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide (CID 50841848) is N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide is O=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide?
The InChIKey is HLMKMKUZWFQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O3/c25-18-8-6-16(7-9-18)24-29-28-22(32-24)14-31-20-3-1-2-19(13-20)27-23(30)17-5-4-15-10-11-26-21(15)12-17/h1-13,26H,14H2,(H,27,30).
What are the key properties of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide?
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide has a molecular weight of 444.88 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 50841848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).