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

C12H11ClN2O — CID 84647345

IUPAC3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESClc1ccc(-c2noc3c2CCNC3)cc1
InChIInChI=1S/C12H11ClN2O/c13-9-3-1-8(2-4-9)12-10-5-6-14-7-11(10)16-15-12/h1-4,14H,5-7H2
InChIKeyDXLPUVUOZDZTCN-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.64
Rot. Bonds1

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

3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 84647345) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
PubChem CID84647345
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESClc1ccc(-c2noc3c2CCNC3)cc1
InChIInChI=1S/C12H11ClN2O/c13-9-3-1-8(2-4-9)12-10-5-6-14-7-11(10)16-15-12/h1-4,14H,5-7H2
InChIKeyDXLPUVUOZDZTCN-UHFFFAOYSA-N
XLogP2.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647150
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
CID 143323722
4-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043853
3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647265
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-6-carboxylic acid
CID 19898995
3-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-1,2-benzoxazole-6-carboxylic acid
CID 19899043
2-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetic acid
CID 56751638
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280
3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647073
1-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3303940
4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56749369

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (CID 84647345) is 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is Clc1ccc(-c2noc3c2CCNC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The InChIKey is DXLPUVUOZDZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-3-1-8(2-4-9)12-10-5-6-14-7-11(10)16-15-12/h1-4,14H,5-7H2.
What are the key properties of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 234.69 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84647345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).