(3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide

C20H21N3O4 — CID 92581169

IUPAC(3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
SMILESCC(C)c1cc(CNC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)on1
InChIInChI=1S/C20H21N3O4/c1-10(2)14-8-11(27-23-14)9-21-18(25)15-16-19(26)22-13-7-5-4-6-12(13)17(24)20(15,16)3/h4-8,10,15-16H,9H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,20+/m0/s1
InChIKeyQLJNBGGCJALMPB-RZQQEMMASA-N
MW367.41 g/mol
LogP2.50
Rot. Bonds4

About (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide

(3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide (PubChem CID 92581169) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide.

Molecular Properties

Compound Name(3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
PubChem CID92581169
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
SMILESCC(C)c1cc(CNC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)on1
InChIInChI=1S/C20H21N3O4/c1-10(2)14-8-11(27-23-14)9-21-18(25)15-16-19(26)22-13-7-5-4-6-12(13)17(24)20(15,16)3/h4-8,10,15-16H,9H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,20+/m0/s1
InChIKeyQLJNBGGCJALMPB-RZQQEMMASA-N
XLogP2.50
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The IUPAC name of (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide (CID 92581169) is (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide.
What is the SMILES notation for (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The canonical SMILES for (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide is CC(C)c1cc(CNC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)on1.
What is the InChIKey of (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The InChIKey is QLJNBGGCJALMPB-RZQQEMMASA-N. The full InChI is InChI=1S/C20H21N3O4/c1-10(2)14-8-11(27-23-14)9-21-18(25)15-16-19(26)22-13-7-5-4-6-12(13)17(24)20(15,16)3/h4-8,10,15-16H,9H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,20+/m0/s1.
What are the key properties of (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
(3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-methyl-2,6-dioxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide is sourced from PubChem (CID 92581169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).