(2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C16H24N4O3 — CID 134690112

IUPAC(2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1CC2CN(C(=O)c3cnoc3C)CC2N1C(C)C
InChIInChI=1S/C16H24N4O3/c1-9(2)20-13(15(21)17-4)5-11-7-19(8-14(11)20)16(22)12-6-18-23-10(12)3/h6,9,11,13-14H,5,7-8H2,1-4H3,(H,17,21)/t11?,13-,14?/m0/s1
InChIKeyBUWLKSFYKOFGJT-QRMWWUJWSA-N
MW320.39 g/mol
LogP0.65
Rot. Bonds3

About (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 134690112) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID134690112
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1CC2CN(C(=O)c3cnoc3C)CC2N1C(C)C
InChIInChI=1S/C16H24N4O3/c1-9(2)20-13(15(21)17-4)5-11-7-19(8-14(11)20)16(22)12-6-18-23-10(12)3/h6,9,11,13-14H,5,7-8H2,1-4H3,(H,17,21)/t11?,13-,14?/m0/s1
InChIKeyBUWLKSFYKOFGJT-QRMWWUJWSA-N
XLogP0.65
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 134690112) is (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CNC(=O)[C@@H]1CC2CN(C(=O)c3cnoc3C)CC2N1C(C)C.
What is the InChIKey of (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is BUWLKSFYKOFGJT-QRMWWUJWSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-9(2)20-13(15(21)17-4)5-11-7-19(8-14(11)20)16(22)12-6-18-23-10(12)3/h6,9,11,13-14H,5,7-8H2,1-4H3,(H,17,21)/t11?,13-,14?/m0/s1.
What are the key properties of (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-5-(5-methyl-1,2-oxazole-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 134690112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).