(1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 176532412) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	176532412
Molecular Formula	C19H18N4O4
Molecular Weight	366.38 g/mol
Exact Mass	366.13
IUPAC Name	(1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	Cc1cc(N2C[C@]34C=C[C@@H](O3)C(C(=O)NCc3cccnc3)C4C2=O)no1
InChI	InChI=1S/C19H18N4O4/c1-11-7-14(22-27-11)23-10-19-5-4-13(26-19)15(16(19)18(23)25)17(24)21-9-12-3-2-6-20-8-12/h2-8,13,15-16H,9-10H2,1H3,(H,21,24)/t13-,15?,16?,19+/m1/s1
InChIKey	IOZYEGGIGLQOAY-QOOYBSBZSA-N
XLogP	0.98
TPSA	97.56 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.38
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 176532412) is (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

What is the SMILES notation for (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is Cc1cc(N2C[C@]34C=C[C@@H](O3)C(C(=O)NCc3cccnc3)C4C2=O)no1.

What is the InChIKey of (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The InChIKey is IOZYEGGIGLQOAY-QOOYBSBZSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-11-7-14(22-27-11)23-10-19-5-4-13(26-19)15(16(19)18(23)25)17(24)21-9-12-3-2-6-20-8-12/h2-8,13,15-16H,9-10H2,1H3,(H,21,24)/t13-,15?,16?,19+/m1/s1.

What are the key properties of (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

(1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 176532412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).