N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide

C17H19N5O3 — CID 167747831

IUPACN-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide
SMILESCOCc1noc(NC(=O)N2CCCn3c(cc4ccccc43)C2)n1
InChIInChI=1S/C17H19N5O3/c1-24-11-15-18-16(25-20-15)19-17(23)21-7-4-8-22-13(10-21)9-12-5-2-3-6-14(12)22/h2-3,5-6,9H,4,7-8,10-11H2,1H3,(H,18,19,20,23)
InChIKeyAKQBRWVESGZILY-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.61
Rot. Bonds3

About N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide

N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide (PubChem CID 167747831) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide
PubChem CID167747831
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide
SMILESCOCc1noc(NC(=O)N2CCCn3c(cc4ccccc43)C2)n1
InChIInChI=1S/C17H19N5O3/c1-24-11-15-18-16(25-20-15)19-17(23)21-7-4-8-22-13(10-21)9-12-5-2-3-6-14(12)22/h2-3,5-6,9H,4,7-8,10-11H2,1H3,(H,18,19,20,23)
InChIKeyAKQBRWVESGZILY-UHFFFAOYSA-N
XLogP2.61
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 110646938
3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
CID 69422557
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 122558635
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110646946
(6S)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 136585729
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110646913
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methylpiperazin-1-yl)butan-1-one
CID 86581410
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 86581408
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone
CID 110646888
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166350441
(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 125440172

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide (CID 167747831) is N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide is COCc1noc(NC(=O)N2CCCn3c(cc4ccccc43)C2)n1.
What is the InChIKey of N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide?
The InChIKey is AKQBRWVESGZILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-24-11-15-18-16(25-20-15)19-17(23)21-7-4-8-22-13(10-21)9-12-5-2-3-6-14(12)22/h2-3,5-6,9H,4,7-8,10-11H2,1H3,(H,18,19,20,23).
What are the key properties of N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide?
N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide is sourced from PubChem (CID 167747831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).