5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C20H18N4OS — CID 56754916

IUPAC5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nnsc1CN1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C20H18N4OS/c1-13-19(26-23-21-13)12-24-10-9-18-17(11-24)20(22-25-18)16-8-4-6-14-5-2-3-7-15(14)16/h2-8H,9-12H2,1H3
InChIKeyVTPHNPMAMLTDCM-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.21
Rot. Bonds3

About 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56754916) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56754916
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nnsc1CN1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C20H18N4OS/c1-13-19(26-23-21-13)12-24-10-9-18-17(11-24)20(22-25-18)16-8-4-6-14-5-2-3-7-15(14)16/h2-8H,9-12H2,1H3
InChIKeyVTPHNPMAMLTDCM-UHFFFAOYSA-N
XLogP4.21
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56750844
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol
CID 56738395
5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 56866838
5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56739620
[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea
CID 56759573
3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 25282938
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 56757044
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56760539
(4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 56868970
6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile
CID 56745627
(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one
CID 56869264
4,4,4-trifluoro-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 42591648

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56754916) is 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1nnsc1CN1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is VTPHNPMAMLTDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-19(26-23-21-13)12-24-10-9-18-17(11-24)20(22-25-18)16-8-4-6-14-5-2-3-7-15(14)16/h2-8H,9-12H2,1H3.
What are the key properties of 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 362.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56754916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).