(6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide

C14H15N5O2 — CID 143813386

IUPAC(6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CC2[C@@H](C1)OCc1cnnn12
InChIInChI=1S/C14H15N5O2/c20-14(16-10-4-2-1-3-5-10)18-7-12-13(8-18)21-9-11-6-15-17-19(11)12/h1-6,12-13H,7-9H2,(H,16,20)/t12?,13-/m1/s1
InChIKeyQWQPNSOLCNSTGK-ZGTCLIOFSA-N
MW285.31 g/mol
LogP1.27
Rot. Bonds1

About (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide

(6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide (PubChem CID 143813386) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide.

Molecular Properties

Compound Name(6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide
PubChem CID143813386
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name(6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CC2[C@@H](C1)OCc1cnnn12
InChIInChI=1S/C14H15N5O2/c20-14(16-10-4-2-1-3-5-10)18-7-12-13(8-18)21-9-11-6-15-17-19(11)12/h1-6,12-13H,7-9H2,(H,16,20)/t12?,13-/m1/s1
InChIKeyQWQPNSOLCNSTGK-ZGTCLIOFSA-N
XLogP1.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxylate
CID 59587931
2-(1,3-dihydroisoindol-2-yl)-1-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]ethanone
CID 118778562
(2-methylsulfanylphenyl)-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118776033
[2-(2-fluorophenyl)phenyl]-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118779013
4-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]benzonitrile
CID 118771118
1-methyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]quinolin-2-one
CID 118778331
3-(4-fluorophenyl)-1-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]propan-1-one
CID 118795718
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333
(2,6-difluoro-4-methoxyphenyl)-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]methanone
CID 118784694
8-bromo-N-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide
CID 56588973

Frequently Asked Questions

What is the IUPAC name of (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide?
The IUPAC name of (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide (CID 143813386) is (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide.
What is the SMILES notation for (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide?
The canonical SMILES for (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide is O=C(Nc1ccccc1)N1CC2[C@@H](C1)OCc1cnnn12.
What is the InChIKey of (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide?
The InChIKey is QWQPNSOLCNSTGK-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-14(16-10-4-2-1-3-5-10)18-7-12-13(8-18)21-9-11-6-15-17-19(11)12/h1-6,12-13H,7-9H2,(H,16,20)/t12?,13-/m1/s1.
What are the key properties of (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide?
(6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide is sourced from PubChem (CID 143813386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).