N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C20H17ClN4O2 — CID 66831763

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(Cc2ccncc2)on1
InChIInChI=1S/C20H17ClN4O2/c21-15-1-2-18-17(10-15)14(12-24-18)5-8-23-20(26)19-11-16(27-25-19)9-13-3-6-22-7-4-13/h1-4,6-7,10-12,24H,5,8-9H2,(H,23,26)
InChIKeyPGFYSSVZTMSVQW-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66831763) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID66831763
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(Cc2ccncc2)on1
InChIInChI=1S/C20H17ClN4O2/c21-15-1-2-18-17(10-15)14(12-24-18)5-8-23-20(26)19-11-16(27-25-19)9-13-3-6-22-7-4-13/h1-4,6-7,10-12,24H,5,8-9H2,(H,23,26)
InChIKeyPGFYSSVZTMSVQW-UHFFFAOYSA-N
XLogP3.77
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 66831890
4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 141441300
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39309401
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 166231909
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 66832036
5-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2,4-thiadiazole-3-carboxamide
CID 66831924
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
CID 86699433
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 66832117
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 66831763) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(Cc2ccncc2)on1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PGFYSSVZTMSVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-1-2-18-17(10-15)14(12-24-18)5-8-23-20(26)19-11-16(27-25-19)9-13-3-6-22-7-4-13/h1-4,6-7,10-12,24H,5,8-9H2,(H,23,26).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66831763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).