3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one

C18H22N4O4 — CID 139351294

IUPAC3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cnc2c(c1)OCCC1(CC1)N2)N1CC[C@H](N2CCOC2=O)C1
InChIInChI=1S/C18H22N4O4/c23-16(21-5-1-13(11-21)22-6-8-26-17(22)24)12-9-14-15(19-10-12)20-18(2-3-18)4-7-25-14/h9-10,13H,1-8,11H2,(H,19,20)/t13-/m0/s1
InChIKeyKGGKLDIEPKYAPC-ZDUSSCGKSA-N
MW358.40 g/mol
LogP1.48
Rot. Bonds2

About 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one

3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 139351294) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID139351294
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cnc2c(c1)OCCC1(CC1)N2)N1CC[C@H](N2CCOC2=O)C1
InChIInChI=1S/C18H22N4O4/c23-16(21-5-1-13(11-21)22-6-8-26-17(22)24)12-9-14-15(19-10-12)20-18(2-3-18)4-7-25-14/h9-10,13H,1-8,11H2,(H,19,20)/t13-/m0/s1
InChIKeyKGGKLDIEPKYAPC-ZDUSSCGKSA-N
XLogP1.48
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 139351294) is 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one is O=C(c1cnc2c(c1)OCCC1(CC1)N2)N1CC[C@H](N2CCOC2=O)C1.
What is the InChIKey of 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is KGGKLDIEPKYAPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-16(21-5-1-13(11-21)22-6-8-26-17(22)24)12-9-14-15(19-10-12)20-18(2-3-18)4-7-25-14/h9-10,13H,1-8,11H2,(H,19,20)/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 358.40 g/mol, XLogP of 1.48, 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[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139351294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).