(3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide

C19H17N5O2 — CID 134809311

IUPAC(3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1=NO[C@@H]2CN(c3ccccn3)C[C@H]12
InChIInChI=1S/C19H17N5O2/c25-19(22-13-4-5-15-12(9-13)6-8-20-15)18-14-10-24(11-16(14)26-23-18)17-3-1-2-7-21-17/h1-9,14,16,20H,10-11H2,(H,22,25)/t14-,16+/m0/s1
InChIKeyFBFFKYBFCZBQSM-GOEBONIOSA-N
MW347.38 g/mol
LogP2.39
Rot. Bonds3

About (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide

(3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 134809311) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID134809311
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1=NO[C@@H]2CN(c3ccccn3)C[C@H]12
InChIInChI=1S/C19H17N5O2/c25-19(22-13-4-5-15-12(9-13)6-8-20-15)18-14-10-24(11-16(14)26-23-18)17-3-1-2-7-21-17/h1-9,14,16,20H,10-11H2,(H,22,25)/t14-,16+/m0/s1
InChIKeyFBFFKYBFCZBQSM-GOEBONIOSA-N
XLogP2.39
TPSA82.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 134808024
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CID 18332642
6-chloro-N-(1H-indol-5-yl)pyridazine-3-carboxamide
CID 61250320

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide (CID 134809311) is (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)C1=NO[C@@H]2CN(c3ccccn3)C[C@H]12.
What is the InChIKey of (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is FBFFKYBFCZBQSM-GOEBONIOSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-19(22-13-4-5-15-12(9-13)6-8-20-15)18-14-10-24(11-16(14)26-23-18)17-3-1-2-7-21-17/h1-9,14,16,20H,10-11H2,(H,22,25)/t14-,16+/m0/s1.
What are the key properties of (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide?
(3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-(1H-indol-5-yl)-5-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 134809311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).