3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole

C15H13N5O — CID 106902639

IUPAC3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(C3CNc4ccccc4C3)n2)nc1
InChIInChI=1S/C15H13N5O/c1-2-5-12-10(4-1)8-11(9-18-12)15-19-14(20-21-15)13-16-6-3-7-17-13/h1-7,11,18H,8-9H2
InChIKeyLSGGPNISDZLANI-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.28
Rot. Bonds2

About 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole

3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 106902639) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID106902639
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(C3CNc4ccccc4C3)n2)nc1
InChIInChI=1S/C15H13N5O/c1-2-5-12-10(4-1)8-11(9-18-12)15-19-14(20-21-15)13-16-6-3-7-17-13/h1-7,11,18H,8-9H2
InChIKeyLSGGPNISDZLANI-UHFFFAOYSA-N
XLogP2.28
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylfuran-3-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902703
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902657
3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902698
5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 106902692
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899212
5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29170089
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902728
7-bromo-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902739
3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903175
5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 107676294
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 104899276
3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106902586

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole (CID 106902639) is 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole is c1cnc(-c2noc(C3CNc4ccccc4C3)n2)nc1.
What is the InChIKey of 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is LSGGPNISDZLANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-2-5-12-10(4-1)8-11(9-18-12)15-19-14(20-21-15)13-16-6-3-7-17-13/h1-7,11,18H,8-9H2.
What are the key properties of 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 279.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106902639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).