2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine

C13H14N2O2 — CID 66706175

IUPAC2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(o2)CNCC3)c1
InChIInChI=1S/C13H14N2O2/c1-16-10-4-2-3-9(7-10)13-15-11-5-6-14-8-12(11)17-13/h2-4,7,14H,5-6,8H2,1H3
InChIKeyBMZBLBAMSXLOQR-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.00
Rot. Bonds2

About 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine

2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 66706175) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
PubChem CID66706175
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(o2)CNCC3)c1
InChIInChI=1S/C13H14N2O2/c1-16-10-4-2-3-9(7-10)13-15-11-5-6-14-8-12(11)17-13/h2-4,7,14H,5-6,8H2,1H3
InChIKeyBMZBLBAMSXLOQR-UHFFFAOYSA-N
XLogP2.00
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066506
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
2-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione
CID 974145
2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
CID 131872662
2-(3-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308678
2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006286
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
5-amino-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 11658697
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine (CID 66706175) is 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine is COc1cccc(-c2nc3c(o2)CNCC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is BMZBLBAMSXLOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-16-10-4-2-3-9(7-10)13-15-11-5-6-14-8-12(11)17-13/h2-4,7,14H,5-6,8H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 230.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 66706175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).