5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole

C19H15BrN2O2 — CID 172914436

IUPAC5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(Cc3cc(Br)cc4cc[nH]c34)on2)cc1
InChIInChI=1S/C19H15BrN2O2/c1-23-16-4-2-12(3-5-16)18-11-17(24-22-18)10-14-9-15(20)8-13-6-7-21-19(13)14/h2-9,11,21H,10H2,1H3
InChIKeyWLRYENWNBWJGEV-UHFFFAOYSA-N
MW383.25 g/mol
LogP5.18
Rot. Bonds4

About 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole

5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 172914436) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole
PubChem CID172914436
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(Cc3cc(Br)cc4cc[nH]c34)on2)cc1
InChIInChI=1S/C19H15BrN2O2/c1-23-16-4-2-12(3-5-16)18-11-17(24-22-18)10-14-9-15(20)8-13-6-7-21-19(13)14/h2-9,11,21H,10H2,1H3
InChIKeyWLRYENWNBWJGEV-UHFFFAOYSA-N
XLogP5.18
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(5-methylisoxazol-3-yl)ethanone
CID 86728610
4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 24761250
(6-methoxy-1H-indol-3-yl)-phenylmethanone
CID 11459384
3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methylisoxazole
CID 24761333
1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone
CID 43340423
5-bromo-N-[(Z)-[5-methoxy-1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide
CID 56834932
(E)-2-(1H-indole-3-carbonyl)-3-(6-methoxy-1H-indol-3-yl)prop-2-enenitrile
CID 118715221
(E)-3-(1H-indol-3-yl)-2-(6-methoxy-1H-indole-3-carbonyl)prop-2-enenitrile
CID 118715222
(E)-2-(6-methoxy-1H-indole-3-carbonyl)-3-(6-methoxy-1H-indol-3-yl)prop-2-enenitrile
CID 118715230
3-(3-bromo-4-methoxyphenyl)-7-methyl-5,10-dihydro-4H-[1,2]oxazolo[3,4-a]carbazole
CID 137645577
5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide
CID 155543814
5-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 168296856

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole (CID 172914436) is 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cc(Cc3cc(Br)cc4cc[nH]c34)on2)cc1.
What is the InChIKey of 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is WLRYENWNBWJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c1-23-16-4-2-12(3-5-16)18-11-17(24-22-18)10-14-9-15(20)8-13-6-7-21-19(13)14/h2-9,11,21H,10H2,1H3.
What are the key properties of 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole?
5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 383.25 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-1H-indol-7-yl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 172914436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).