3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one

C17H20N4O4 — CID 139351326

IUPAC3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cnc2c(c1)OCC1(CC1)N2)N1CC[C@H](N2CCOC2=O)C1
InChIInChI=1S/C17H20N4O4/c22-15(20-4-1-12(9-20)21-5-6-24-16(21)23)11-7-13-14(18-8-11)19-17(2-3-17)10-25-13/h7-8,12H,1-6,9-10H2,(H,18,19)/t12-/m0/s1
InChIKeyRUCIKZRCRAKWJR-LBPRGKRZSA-N
MW344.37 g/mol
LogP1.09
Rot. Bonds2

About 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one

3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 139351326) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID139351326
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cnc2c(c1)OCC1(CC1)N2)N1CC[C@H](N2CCOC2=O)C1
InChIInChI=1S/C17H20N4O4/c22-15(20-4-1-12(9-20)21-5-6-24-16(21)23)11-7-13-14(18-8-11)19-17(2-3-17)10-25-13/h7-8,12H,1-6,9-10H2,(H,18,19)/t12-/m0/s1
InChIKeyRUCIKZRCRAKWJR-LBPRGKRZSA-N
XLogP1.09
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 139351326) is 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one is O=C(c1cnc2c(c1)OCC1(CC1)N2)N1CC[C@H](N2CCOC2=O)C1.
What is the InChIKey of 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is RUCIKZRCRAKWJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-15(20-4-1-12(9-20)21-5-6-24-16(21)23)11-7-13-14(18-8-11)19-17(2-3-17)10-25-13/h7-8,12H,1-6,9-10H2,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 344.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139351326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).