methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

C18H20N4O3 — CID 95312080

IUPACmethyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3c(c2c1)CN([C@H](C)c1nnc(C)o1)CC3
InChIInChI=1S/C18H20N4O3/c1-10(17-21-20-11(2)25-17)22-7-6-16-14(9-22)13-8-12(18(23)24-3)4-5-15(13)19-16/h4-5,8,10,19H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyKWOOEGCSJLYEFW-SNVBAGLBSA-N
MW340.38 g/mol
LogP2.77
Rot. Bonds3

About methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate (PubChem CID 95312080) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
PubChem CID95312080
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namemethyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3c(c2c1)CN([C@H](C)c1nnc(C)o1)CC3
InChIInChI=1S/C18H20N4O3/c1-10(17-21-20-11(2)25-17)22-7-6-16-14(9-22)13-8-12(18(23)24-3)4-5-15(13)19-16/h4-5,8,10,19H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyKWOOEGCSJLYEFW-SNVBAGLBSA-N
XLogP2.77
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole
CID 95313365
methyl 2-(4-methoxycarbonylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32756389
methyl 2-(2,4,5-trimethylfuran-3-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32759505
methyl 2-(thiophene-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757347
methyl 2-(6-oxo-1H-pyridazine-3-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32756299
methyl 2-(2-hydroxy-4-methylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 38497321
methyl 2-(2,3-dihydro-1H-indene-5-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757669
methyl 2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757825
methyl 2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757120
methyl 2-[2-(3,4-dimethoxyphenyl)acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757407
methyl 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 133335451
methyl 2-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32759232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate?
The IUPAC name of 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) is methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate.
What is the SMILES notation for methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate?
The canonical SMILES for methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate is COC(=O)c1ccc2[nH]c3c(c2c1)CN([C@H](C)c1nnc(C)o1)CC3.
What is the InChIKey of methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate?
The InChIKey is KWOOEGCSJLYEFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10(17-21-20-11(2)25-17)22-7-6-16-14(9-22)13-8-12(18(23)24-3)4-5-15(13)19-16/h4-5,8,10,19H,6-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate?
methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate is sourced from PubChem (CID 95312080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).