N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide

C13H19N3O2 — CID 75367222

IUPACN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1Cn2ccnc2CO1)C1CCCC1
InChIInChI=1S/C13H19N3O2/c17-13(10-3-1-2-4-10)15-7-11-8-16-6-5-14-12(16)9-18-11/h5-6,10-11H,1-4,7-9H2,(H,15,17)/t11-/m0/s1
InChIKeyBKHLCFWKDHYZED-NSHDSACASA-N
MW249.31 g/mol
LogP1.09
Rot. Bonds3

About N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide

N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide (PubChem CID 75367222) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide
PubChem CID75367222
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1Cn2ccnc2CO1)C1CCCC1
InChIInChI=1S/C13H19N3O2/c17-13(10-3-1-2-4-10)15-7-11-8-16-6-5-14-12(16)9-18-11/h5-6,10-11H,1-4,7-9H2,(H,15,17)/t11-/m0/s1
InChIKeyBKHLCFWKDHYZED-NSHDSACASA-N
XLogP1.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide (CID 75367222) is N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide is O=C(NC[C@H]1Cn2ccnc2CO1)C1CCCC1.
What is the InChIKey of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide?
The InChIKey is BKHLCFWKDHYZED-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(10-3-1-2-4-10)15-7-11-8-16-6-5-14-12(16)9-18-11/h5-6,10-11H,1-4,7-9H2,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide?
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 75367222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).