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

C19H16FN3O4 — CID 99988933

IUPAC(1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(F)c3)[C@H]4C2=O)no1
InChIInChI=1S/C19H16FN3O4/c1-10-7-14(22-27-10)23-9-19-6-5-13(26-19)15(16(19)18(23)25)17(24)21-12-4-2-3-11(20)8-12/h2-8,13,15-16H,9H2,1H3,(H,21,24)/t13-,15+,16+,19+/m1/s1
InChIKeyQHAUMDGSWYJDRN-UEABVUSTSA-N
MW369.35 g/mol
LogP2.05
Rot. Bonds3

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

(1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 99988933) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name(1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID99988933
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name(1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(F)c3)[C@H]4C2=O)no1
InChIInChI=1S/C19H16FN3O4/c1-10-7-14(22-27-10)23-9-19-6-5-13(26-19)15(16(19)18(23)25)17(24)21-12-4-2-3-11(20)8-12/h2-8,13,15-16H,9H2,1H3,(H,21,24)/t13-,15+,16+,19+/m1/s1
InChIKeyQHAUMDGSWYJDRN-UEABVUSTSA-N
XLogP2.05
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

(1R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 131667030
(1S,5R,6R,7R)-N-(1,3-benzodioxol-5-yl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 98715255
(1S,5S,6R,7R)-N-(1,3-benzodioxol-5-yl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 41024812
(1R,7R)-N-(4-methoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 176542531
(1R,7S)-N-(3,5-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 56951767
(1R,5S,6R,7R)-N-(3,5-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 98198910
(1R,7R)-3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 176542539
3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 46924798
(1S,5S,6S,7R)-3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 41008658
(1R,5R,6S,7S)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(3,4,5-trimethoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 97038094
3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-N-(3,4,5-trimethoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 46924743
3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CID 655390

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The IUPAC name of (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 99988933) is (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.
What is the SMILES notation for (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The canonical SMILES for (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(F)c3)[C@H]4C2=O)no1.
What is the InChIKey of (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The InChIKey is QHAUMDGSWYJDRN-UEABVUSTSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-10-7-14(22-27-10)23-9-19-6-5-13(26-19)15(16(19)18(23)25)17(24)21-12-4-2-3-11(20)8-12/h2-8,13,15-16H,9H2,1H3,(H,21,24)/t13-,15+,16+,19+/m1/s1.
What are the key properties of (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
(1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R,7R)-N-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 99988933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).