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

C14H11Cl2N3O2 — CID 141441300

IUPAC4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1nocc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-9-1-2-12-10(5-9)8(6-18-12)3-4-17-14(20)13-11(16)7-21-19-13/h1-2,5-7,18H,3-4H2,(H,17,20)
InChIKeyOLEMJFDWBBEVFC-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.44
Rot. Bonds4

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

4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 141441300) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID141441300
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1nocc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-9-1-2-12-10(5-9)8(6-18-12)3-4-17-14(20)13-11(16)7-21-19-13/h1-2,5-7,18H,3-4H2,(H,17,20)
InChIKeyOLEMJFDWBBEVFC-UHFFFAOYSA-N
XLogP3.44
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39309401
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 166231909
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 66831763
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
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-methoxypropanamide
CID 124607872
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 71994371
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 141441300) is 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1nocc1Cl.
What is the InChIKey of 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OLEMJFDWBBEVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-9-1-2-12-10(5-9)8(6-18-12)3-4-17-14(20)13-11(16)7-21-19-13/h1-2,5-7,18H,3-4H2,(H,17,20).
What are the key properties of 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 141441300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).