(4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one

C17H23N5O3 — CID 162745523

IUPAC(4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CCC(=O)N2CC3(CC(n4cnc(C5CC5)n4)C3)C2)CO1
InChIInChI=1S/C17H23N5O3/c23-14(4-3-12-7-25-16(24)19-12)21-8-17(9-21)5-13(6-17)22-10-18-15(20-22)11-1-2-11/h10-13H,1-9H2,(H,19,24)/t12-/m1/s1
InChIKeyYDEJPSMSVHQQGX-GFCCVEGCSA-N
MW345.40 g/mol
LogP1.21
Rot. Bonds5

About (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one

(4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one (PubChem CID 162745523) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
PubChem CID162745523
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CCC(=O)N2CC3(CC(n4cnc(C5CC5)n4)C3)C2)CO1
InChIInChI=1S/C17H23N5O3/c23-14(4-3-12-7-25-16(24)19-12)21-8-17(9-21)5-13(6-17)22-10-18-15(20-22)11-1-2-11/h10-13H,1-9H2,(H,19,24)/t12-/m1/s1
InChIKeyYDEJPSMSVHQQGX-GFCCVEGCSA-N
XLogP1.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one (CID 162745523) is (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one is O=C1N[C@H](CCC(=O)N2CC3(CC(n4cnc(C5CC5)n4)C3)C2)CO1.
What is the InChIKey of (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The InChIKey is YDEJPSMSVHQQGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-14(4-3-12-7-25-16(24)19-12)21-8-17(9-21)5-13(6-17)22-10-18-15(20-22)11-1-2-11/h10-13H,1-9H2,(H,19,24)/t12-/m1/s1.
What are the key properties of (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
(4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one has a molecular weight of 345.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162745523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).