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

C11H12N4O3 — CID 75367235

IUPACN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@H]1Cn2ccnc2CO1)c1ccno1
InChIInChI=1S/C11H12N4O3/c16-11(9-1-2-14-18-9)13-5-8-6-15-4-3-12-10(15)7-17-8/h1-4,8H,5-7H2,(H,13,16)/t8-/m0/s1
InChIKeyKVDLOYCJDLRGOP-QMMMGPOBSA-N
MW248.24 g/mol
LogP0.20
Rot. Bonds3

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

N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 75367235) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID75367235
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@H]1Cn2ccnc2CO1)c1ccno1
InChIInChI=1S/C11H12N4O3/c16-11(9-1-2-14-18-9)13-5-8-6-15-4-3-12-10(15)7-17-8/h1-4,8H,5-7H2,(H,13,16)/t8-/m0/s1
InChIKeyKVDLOYCJDLRGOP-QMMMGPOBSA-N
XLogP0.20
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide (CID 75367235) is N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NC[C@H]1Cn2ccnc2CO1)c1ccno1.
What is the InChIKey of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KVDLOYCJDLRGOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-11(9-1-2-14-18-9)13-5-8-6-15-4-3-12-10(15)7-17-8/h1-4,8H,5-7H2,(H,13,16)/t8-/m0/s1.
What are the key properties of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75367235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).