3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide

C15H20N4O2 — CID 95776356

IUPAC3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)c1cc(C(=O)N[C@@H]2CCc3nccn3C2)on1
InChIInChI=1S/C15H20N4O2/c1-3-10(2)12-8-13(21-18-12)15(20)17-11-4-5-14-16-6-7-19(14)9-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,20)/t10-,11+/m0/s1
InChIKeyAPOMJFBZMCKLSB-WDEREUQCSA-N
MW288.35 g/mol
LogP2.13
Rot. Bonds4

About 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide

3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide (PubChem CID 95776356) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide
PubChem CID95776356
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)c1cc(C(=O)N[C@@H]2CCc3nccn3C2)on1
InChIInChI=1S/C15H20N4O2/c1-3-10(2)12-8-13(21-18-12)15(20)17-11-4-5-14-16-6-7-19(14)9-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,20)/t10-,11+/m0/s1
InChIKeyAPOMJFBZMCKLSB-WDEREUQCSA-N
XLogP2.13
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide (CID 95776356) is 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)c1cc(C(=O)N[C@@H]2CCc3nccn3C2)on1.
What is the InChIKey of 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is APOMJFBZMCKLSB-WDEREUQCSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-10(2)12-8-13(21-18-12)15(20)17-11-4-5-14-16-6-7-19(14)9-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,20)/t10-,11+/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide?
3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95776356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).