(4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide

C14H21N5O2 — CID 125228235

IUPAC(4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1
InChIInChI=1S/C14H21N5O2/c1-10(2)17-14(20)18-8-11-12(9-18)21-6-5-19(11)13-7-15-3-4-16-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyKPILBTYUGZXQMN-RYUDHWBXSA-N
MW291.35 g/mol
LogP0.48
Rot. Bonds2

About (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide

(4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide (PubChem CID 125228235) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound Name(4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide
PubChem CID125228235
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1
InChIInChI=1S/C14H21N5O2/c1-10(2)17-14(20)18-8-11-12(9-18)21-6-5-19(11)13-7-15-3-4-16-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyKPILBTYUGZXQMN-RYUDHWBXSA-N
XLogP0.48
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide?
The IUPAC name of (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide (CID 125228235) is (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide is CC(C)NC(=O)N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1.
What is the InChIKey of (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide?
The InChIKey is KPILBTYUGZXQMN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10(2)17-14(20)18-8-11-12(9-18)21-6-5-19(11)13-7-15-3-4-16-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,17,20)/t11-,12-/m0/s1.
What are the key properties of (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide?
(4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-N-propan-2-yl-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 125228235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).