4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole

C12H12N2O — CID 164750840

IUPAC4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole
SMILESC1=C(c2cccc3ocnc23)NCCC1
InChIInChI=1S/C12H12N2O/c1-2-7-13-10(5-1)9-4-3-6-11-12(9)14-8-15-11/h3-6,8,13H,1-2,7H2
InChIKeyQLOOAUFSXZTCSF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.55
Rot. Bonds1

About 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole

4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole (PubChem CID 164750840) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole
PubChem CID164750840
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole
SMILESC1=C(c2cccc3ocnc23)NCCC1
InChIInChI=1S/C12H12N2O/c1-2-7-13-10(5-1)9-4-3-6-11-12(9)14-8-15-11/h3-6,8,13H,1-2,7H2
InChIKeyQLOOAUFSXZTCSF-UHFFFAOYSA-N
XLogP2.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-1,3-benzoxazole
CID 67857782
4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole
CID 150971270
4-(9H-carbazol-1-yl)-1,3-benzoxazole
CID 91806024
3-(1,3-benzoxazol-4-yl)-2-(1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 67984541
4-(1,2,3-benzothiadiazol-4-yl)-1,3-benzoxazole
CID 166340248
4-(1,3-benzoxazol-4-yl)-1,2-oxazol-5-amine
CID 117289789
4-(2-benzylsulfanylphenyl)-1,3-benzoxazole
CID 173234845
N,N-dimethyl-1,3-benzoxazol-4-amine
CID 138489178
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 66697967
4-(3-methylbutyl)-1,3-benzoxazole
CID 91502984
1,3-benzoxazole;quinoxaline
CID 67655660
3-(1,3-benzoxazol-4-yl)propan-1-ol
CID 117277496

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole?
The IUPAC name of 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole (CID 164750840) is 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole?
The canonical SMILES for 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole is C1=C(c2cccc3ocnc23)NCCC1.
What is the InChIKey of 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole?
The InChIKey is QLOOAUFSXZTCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-7-13-10(5-1)9-4-3-6-11-12(9)14-8-15-11/h3-6,8,13H,1-2,7H2.
What are the key properties of 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole?
4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole has a molecular weight of 200.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydropyridin-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 164750840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).