3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole

C14H16N2O4 — CID 3589042

IUPAC3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
SMILESCOc1cc(-c2noc3c2CCN3)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4/c1-17-10-6-8(7-11(18-2)13(10)19-3)12-9-4-5-15-14(9)20-16-12/h6-7,15H,4-5H2,1-3H3
InChIKeyYQKJYARLARJWQB-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.34
Rot. Bonds4

About 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole

3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (PubChem CID 3589042) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.

Molecular Properties

Compound Name3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
PubChem CID3589042
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
SMILESCOc1cc(-c2noc3c2CCN3)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4/c1-17-10-6-8(7-11(18-2)13(10)19-3)12-9-4-5-15-14(9)20-16-12/h6-7,15H,4-5H2,1-3H3
InChIKeyYQKJYARLARJWQB-UHFFFAOYSA-N
XLogP2.34
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
CID 3545771
3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
CID 3956584
2-[3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-1-yl]benzonitrile
CID 4032875
6,7-dimethoxy-4-methyl-2,3-dihydro-1H-indole
CID 105447156
1-(3,5-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3498666
[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868588
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]pyridine
CID 54612886
(1R)-1-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915243
3-(3,4,5-trimethoxyphenyl)benzo[f][1,2]benzoxazole-4,9-dione
CID 165015625
6-(3,4,5-trimethoxyphenyl)-1,2,3,8,9,10-hexahydrocyclohepta[e]indole
CID 134143066
1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3511967

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The IUPAC name of 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (CID 3589042) is 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
What is the SMILES notation for 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The canonical SMILES for 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is COc1cc(-c2noc3c2CCN3)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The InChIKey is YQKJYARLARJWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-17-10-6-8(7-11(18-2)13(10)19-3)12-9-4-5-15-14(9)20-16-12/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole has a molecular weight of 276.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is sourced from PubChem (CID 3589042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).