3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide

C17H24N4O3 — CID 129329403

IUPAC3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)c1cc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)on1
InChIInChI=1S/C17H24N4O3/c1-4-11(2)13-8-16(24-20-13)17(22)19-12-5-6-23-15(7-12)14-9-18-10-21(14)3/h8-12,15H,4-7H2,1-3H3,(H,19,22)/t11-,12-,15-/m0/s1
InChIKeyFGPBEBMEFVLLOM-HUBLWGQQSA-N
MW332.40 g/mol
LogP2.57
Rot. Bonds5

About 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide

3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 129329403) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID129329403
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)c1cc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)on1
InChIInChI=1S/C17H24N4O3/c1-4-11(2)13-8-16(24-20-13)17(22)19-12-5-6-23-15(7-12)14-9-18-10-21(14)3/h8-12,15H,4-7H2,1-3H3,(H,19,22)/t11-,12-,15-/m0/s1
InChIKeyFGPBEBMEFVLLOM-HUBLWGQQSA-N
XLogP2.57
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 129346409
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129476648
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
2-(dimethylamino)-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pentanamide
CID 154739480
4-(dimethylamino)-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-2-carboxamide
CID 129475939
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
CID 129492339
(3R)-1-(azepan-1-yl)-3-[[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]butan-1-one
CID 129331363
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide (CID 129329403) is 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)c1cc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)on1.
What is the InChIKey of 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is FGPBEBMEFVLLOM-HUBLWGQQSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-11(2)13-8-16(24-20-13)17(22)19-12-5-6-23-15(7-12)14-9-18-10-21(14)3/h8-12,15H,4-7H2,1-3H3,(H,19,22)/t11-,12-,15-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide?
3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 129329403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).