5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide

C17H19BrN2O2 — CID 112529846

IUPAC5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1noc(C)c1CCNC(=O)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C17H19BrN2O2/c1-10-16(11(2)22-20-10)5-6-19-17(21)14-7-12-3-4-15(18)9-13(12)8-14/h3-4,9,14H,5-8H2,1-2H3,(H,19,21)
InChIKeyNZGXHVYOLWNREL-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.13
Rot. Bonds4

About 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112529846) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112529846
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1noc(C)c1CCNC(=O)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C17H19BrN2O2/c1-10-16(11(2)22-20-10)5-6-19-17(21)14-7-12-3-4-15(18)9-13(12)8-14/h3-4,9,14H,5-8H2,1-2H3,(H,19,21)
InChIKeyNZGXHVYOLWNREL-UHFFFAOYSA-N
XLogP3.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529882
5-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529950
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771986
trans-(1R,2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131417
(2S)-1-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710265
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110646239
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119320896
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20922933
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 112529846) is 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide is Cc1noc(C)c1CCNC(=O)C1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is NZGXHVYOLWNREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-10-16(11(2)22-20-10)5-6-19-17(21)14-7-12-3-4-15(18)9-13(12)8-14/h3-4,9,14H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112529846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).