(5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

C18H19FN4O3 — CID 58746360

IUPAC(5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCCc1[nH]nc2c1CCCc1c-2ccc(N2C[C@H](C(N)=O)OC2=O)c1F
InChIInChI=1S/C18H19FN4O3/c1-2-12-11-5-3-4-9-10(16(11)22-21-12)6-7-13(15(9)19)23-8-14(17(20)24)26-18(23)25/h6-7,14H,2-5,8H2,1H3,(H2,20,24)(H,21,22)/t14-/m1/s1
InChIKeySMCWLNODYJZCFY-CQSZACIVSA-N
MW358.37 g/mol
LogP2.08
Rot. Bonds3

About (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 58746360) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID58746360
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name(5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCCc1[nH]nc2c1CCCc1c-2ccc(N2C[C@H](C(N)=O)OC2=O)c1F
InChIInChI=1S/C18H19FN4O3/c1-2-12-11-5-3-4-9-10(16(11)22-21-12)6-7-13(15(9)19)23-8-14(17(20)24)26-18(23)25/h6-7,14H,2-5,8H2,1H3,(H2,20,24)(H,21,22)/t14-/m1/s1
InChIKeySMCWLNODYJZCFY-CQSZACIVSA-N
XLogP2.08
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (CID 58746360) is (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is CCc1[nH]nc2c1CCCc1c-2ccc(N2C[C@H](C(N)=O)OC2=O)c1F.
What is the InChIKey of (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is SMCWLNODYJZCFY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-2-12-11-5-3-4-9-10(16(11)22-21-12)6-7-13(15(9)19)23-8-14(17(20)24)26-18(23)25/h6-7,14H,2-5,8H2,1H3,(H2,20,24)(H,21,22)/t14-/m1/s1.
What are the key properties of (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(5-ethyl-11-fluoro-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 58746360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).