3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole

C15H15N5O — CID 26745018

IUPAC3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-9-2-4-10(5-3-9)14-19-15(21-20-14)12-6-11-13(7-16-12)18-8-17-11/h2-5,8,12,16H,6-7H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyLRBMPTCCBRQBTH-LBPRGKRZSA-N
MW281.32 g/mol
LogP2.16
Rot. Bonds2

About 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole (PubChem CID 26745018) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
PubChem CID26745018
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-9-2-4-10(5-3-9)14-19-15(21-20-14)12-6-11-13(7-16-12)18-8-17-11/h2-5,8,12,16H,6-7H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyLRBMPTCCBRQBTH-LBPRGKRZSA-N
XLogP2.16
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 28961069
(6S)-N-(3-fluorophenyl)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 28961077
(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 25338823
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-1,2,4-oxadiazole
CID 26744762
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 26744774
N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline
CID 26744798
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 26744800
3-(4-chlorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744844
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 26744896
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 26744962
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 26744984
(4-fluorophenyl)-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 26745022

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole (CID 26745018) is 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole is Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The InChIKey is LRBMPTCCBRQBTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9-2-4-10(5-3-9)14-19-15(21-20-14)12-6-11-13(7-16-12)18-8-17-11/h2-5,8,12,16H,6-7H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole has a molecular weight of 281.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 26745018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).