(3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid

C48H50F2N10O8 — CID 161186156

IUPAC(3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
SMILESCNC(=O)c1cc(CN(C(=O)O)C2CC3(CCN(c4ccc5cc(F)ccc5n4)CC3)C2)on1.NC(=O)c1cc(CN(C(=O)O)C2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)C3)C2)on1
InChIInChI=1S/C24H26FN5O4.C24H24FN5O4/c1-26-22(31)20-11-18(34-28-20)14-30(23(32)33)17-12-24(13-17)6-8-29(9-7-24)21-5-2-15-10-16(25)3-4-19(15)27-21;25-17-4-1-15(2-5-17)16-3-6-21(27-12-16)29-8-7-24(14-29)10-18(11-24)30(23(32)33)13-19-9-20(22(26)31)28-34-19/h2-5,10-11,17H,6-9,12-14H2,1H3,(H,26,31)(H,32,33);1-6,9,12,18H,7-8,10-11,13-14H2,(H2,26,31)(H,32,33)
InChIKeyUTCJZJRYLDIGGD-UHFFFAOYSA-N
MW932.99 g/mol
LogP7.16
Rot. Bonds11

About (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid

(3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid (PubChem CID 161186156) has the molecular formula C48H50F2N10O8 and a molecular weight of 932.99 g/mol. Its IUPAC name is (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid.

Molecular Properties

Compound Name(3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
PubChem CID161186156
Molecular FormulaC48H50F2N10O8
Molecular Weight932.99 g/mol
Exact Mass932.38
IUPAC Name(3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
SMILESCNC(=O)c1cc(CN(C(=O)O)C2CC3(CCN(c4ccc5cc(F)ccc5n4)CC3)C2)on1.NC(=O)c1cc(CN(C(=O)O)C2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)C3)C2)on1
InChIInChI=1S/C24H26FN5O4.C24H24FN5O4/c1-26-22(31)20-11-18(34-28-20)14-30(23(32)33)17-12-24(13-17)6-8-29(9-7-24)21-5-2-15-10-16(25)3-4-19(15)27-21;25-17-4-1-15(2-5-17)16-3-6-21(27-12-16)29-8-7-24(14-29)10-18(11-24)30(23(32)33)13-19-9-20(22(26)31)28-34-19/h2-5,10-11,17H,6-9,12-14H2,1H3,(H,26,31)(H,32,33);1-6,9,12,18H,7-8,10-11,13-14H2,(H2,26,31)(H,32,33)
InChIKeyUTCJZJRYLDIGGD-UHFFFAOYSA-N
XLogP7.16
TPSA237.59 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.99
LogP ≤ 57.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid (CID 161186156) is (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid.
What is the SMILES notation for (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The canonical SMILES for (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid is CNC(=O)c1cc(CN(C(=O)O)C2CC3(CCN(c4ccc5cc(F)ccc5n4)CC3)C2)on1.NC(=O)c1cc(CN(C(=O)O)C2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)C3)C2)on1.
What is the InChIKey of (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The InChIKey is UTCJZJRYLDIGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4.C24H24FN5O4/c1-26-22(31)20-11-18(34-28-20)14-30(23(32)33)17-12-24(13-17)6-8-29(9-7-24)21-5-2-15-10-16(25)3-4-19(15)27-21;25-17-4-1-15(2-5-17)16-3-6-21(27-12-16)29-8-7-24(14-29)10-18(11-24)30(23(32)33)13-19-9-20(22(26)31)28-34-19/h2-5,10-11,17H,6-9,12-14H2,1H3,(H,26,31)(H,32,33);1-6,9,12,18H,7-8,10-11,13-14H2,(H2,26,31)(H,32,33).
What are the key properties of (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
(3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid has a molecular weight of 932.99 g/mol, XLogP of 7.16, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid is sourced from PubChem (CID 161186156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).