6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide

C14H14BrN3O4 — CID 166240756

IUPAC6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)C1CCOc2ccc(Br)cc21
InChIInChI=1S/C14H14BrN3O4/c15-8-1-2-11-10(7-8)9(4-6-21-11)13(19)16-5-3-12-17-14(20)22-18-12/h1-2,7,9H,3-6H2,(H,16,19)(H,17,18,20)
InChIKeyHGAVFZJTWUIRCC-UHFFFAOYSA-N
MW368.19 g/mol
LogP1.35
Rot. Bonds4

About 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide

6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 166240756) has the molecular formula C14H14BrN3O4 and a molecular weight of 368.19 g/mol. Its IUPAC name is 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID166240756
Molecular FormulaC14H14BrN3O4
Molecular Weight368.19 g/mol
Exact Mass367.02
IUPAC Name6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)C1CCOc2ccc(Br)cc21
InChIInChI=1S/C14H14BrN3O4/c15-8-1-2-11-10(7-8)9(4-6-21-11)13(19)16-5-3-12-17-14(20)22-18-12/h1-2,7,9H,3-6H2,(H,16,19)(H,17,18,20)
InChIKeyHGAVFZJTWUIRCC-UHFFFAOYSA-N
XLogP1.35
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 154865848
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 154865001
4-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 120513418
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 137202849
(3S)-5-bromo-N-[2-[(S)-methylsulfinyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97245943
7-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]heptanoic acid
CID 120524046
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581
4-(propylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65368865
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 166240756) is 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide is O=C(NCCc1noc(=O)[nH]1)C1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is HGAVFZJTWUIRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O4/c15-8-1-2-11-10(7-8)9(4-6-21-11)13(19)16-5-3-12-17-14(20)22-18-12/h1-2,7,9H,3-6H2,(H,16,19)(H,17,18,20).
What are the key properties of 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 368.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 166240756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).