4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol

C17H15ClN4O2 — CID 135860454

IUPAC4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ncc2c(c1-c1noc(-c3cc(Cl)ccc3O)n1)CCNC2
InChIInChI=1S/C17H15ClN4O2/c1-9-15(12-4-5-19-7-10(12)8-20-9)16-21-17(24-22-16)13-6-11(18)2-3-14(13)23/h2-3,6,8,19,23H,4-5,7H2,1H3
InChIKeyMHAPCVQXNJQXLZ-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.11
Rot. Bonds2

About 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol

4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135860454) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135860454
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ncc2c(c1-c1noc(-c3cc(Cl)ccc3O)n1)CCNC2
InChIInChI=1S/C17H15ClN4O2/c1-9-15(12-4-5-19-7-10(12)8-20-9)16-21-17(24-22-16)13-6-11(18)2-3-14(13)23/h2-3,6,8,19,23H,4-5,7H2,1H3
InChIKeyMHAPCVQXNJQXLZ-UHFFFAOYSA-N
XLogP3.11
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597758
5-(3,5-dimethylfuran-2-yl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597894
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597832
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 56852090
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 166597730
3-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 28871798
5-(6-methyl-3-pyridinyl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154888025
5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597891
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-[3-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 28956775
N-methyl-3-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154924377
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-oxadiazole
CID 28729734
5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597877

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 135860454) is 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ncc2c(c1-c1noc(-c3cc(Cl)ccc3O)n1)CCNC2.
What is the InChIKey of 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is MHAPCVQXNJQXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-9-15(12-4-5-19-7-10(12)8-20-9)16-21-17(24-22-16)13-6-11(18)2-3-14(13)23/h2-3,6,8,19,23H,4-5,7H2,1H3.
What are the key properties of 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 342.79 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135860454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).