2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole

C16H18N4O — CID 95313365

IUPAC2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H](C)N2CCc3[nH]c4ccccc4c3C2)o1
InChIInChI=1S/C16H18N4O/c1-10(16-19-18-11(2)21-16)20-8-7-15-13(9-20)12-5-3-4-6-14(12)17-15/h3-6,10,17H,7-9H2,1-2H3/t10-/m1/s1
InChIKeySZDNKOGBSIMYTE-SNVBAGLBSA-N
MW282.35 g/mol
LogP2.98
Rot. Bonds2

About 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole

2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 95313365) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole
PubChem CID95313365
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H](C)N2CCc3[nH]c4ccccc4c3C2)o1
InChIInChI=1S/C16H18N4O/c1-10(16-19-18-11(2)21-16)20-8-7-15-13(9-20)12-5-3-4-6-14(12)17-15/h3-6,10,17H,7-9H2,1-2H3/t10-/m1/s1
InChIKeySZDNKOGBSIMYTE-SNVBAGLBSA-N
XLogP2.98
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 95312080
3-propan-2-yl-5-[(1S)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,2,4-oxadiazole
CID 95325739
ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane
CID 91258224
2-propan-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 61355681
2-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 129400265
12-propan-2-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 23008413
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 54587721
[4-(1-hydroxyethyl)phenyl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 172895192
morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984
11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene
CID 45379370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole (CID 95313365) is 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole is Cc1nnc([C@@H](C)N2CCc3[nH]c4ccccc4c3C2)o1.
What is the InChIKey of 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is SZDNKOGBSIMYTE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(16-19-18-11(2)21-16)20-8-7-15-13(9-20)12-5-3-4-6-14(12)17-15/h3-6,10,17H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole?
2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 282.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95313365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).