2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole

C20H20N4O4 — CID 70864213

IUPAC2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1cc(-n2nncc2-c2ccc(C3=NCCO3)cc2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O4/c1-25-17-10-15(11-18(26-2)19(17)27-3)24-16(12-22-23-24)13-4-6-14(7-5-13)20-21-8-9-28-20/h4-7,10-12H,8-9H2,1-3H3
InChIKeyAPUXXRJOQWRWFJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.74
Rot. Bonds6

About 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole

2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 70864213) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID70864213
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1cc(-n2nncc2-c2ccc(C3=NCCO3)cc2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O4/c1-25-17-10-15(11-18(26-2)19(17)27-3)24-16(12-22-23-24)13-4-6-14(7-5-13)20-21-8-9-28-20/h4-7,10-12H,8-9H2,1-3H3
InChIKeyAPUXXRJOQWRWFJ-UHFFFAOYSA-N
XLogP2.74
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 70864213) is 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole is COc1cc(-n2nncc2-c2ccc(C3=NCCO3)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is APUXXRJOQWRWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-25-17-10-15(11-18(26-2)19(17)27-3)24-16(12-22-23-24)13-4-6-14(7-5-13)20-21-8-9-28-20/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 380.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70864213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).