(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

C16H20N6O2 — CID 136585729

IUPAC(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
SMILESCCc1noc(NC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)n1
InChIInChI=1S/C16H20N6O2/c1-2-14-18-15(24-20-14)19-16(23)21-9-11-5-4-8-22(11)13-6-3-7-17-12(13)10-21/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,19,20,23)/t11-/m0/s1
InChIKeyMQHRRRAKEOGSOY-NSHDSACASA-N
MW328.38 g/mol
LogP2.04
Rot. Bonds2

About (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

(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 (PubChem CID 136585729) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID136585729
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(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
SMILESCCc1noc(NC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)n1
InChIInChI=1S/C16H20N6O2/c1-2-14-18-15(24-20-14)19-16(23)21-9-11-5-4-8-22(11)13-6-3-7-17-12(13)10-21/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,19,20,23)/t11-/m0/s1
InChIKeyMQHRRRAKEOGSOY-NSHDSACASA-N
XLogP2.04
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138019263
(2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
CID 138022195
(3-methoxy-1,2-thiazol-5-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
CID 138022215
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 156607915
(2R)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 129488275
(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 125157739
N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide
CID 128633425
(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 167927713
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
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125177080
(6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138019246
N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 136563312

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1noc(NC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)n1.
What is the InChIKey of (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?
The InChIKey is MQHRRRAKEOGSOY-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-14-18-15(24-20-14)19-16(23)21-9-11-5-4-8-22(11)13-6-3-7-17-12(13)10-21/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,19,20,23)/t11-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 328.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 136585729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).