3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide

C12H20N2O4 — CID 86789001

IUPAC3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NC(C)(CO)CO)on1
InChIInChI=1S/C12H20N2O4/c1-4-8(2)9-5-10(18-14-9)11(17)13-12(3,6-15)7-16/h5,8,15-16H,4,6-7H2,1-3H3,(H,13,17)
InChIKeyRBGHJDGCUDKLTG-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.66
Rot. Bonds6

About 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 86789001) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID86789001
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NC(C)(CO)CO)on1
InChIInChI=1S/C12H20N2O4/c1-4-8(2)9-5-10(18-14-9)11(17)13-12(3,6-15)7-16/h5,8,15-16H,4,6-7H2,1-3H3,(H,13,17)
InChIKeyRBGHJDGCUDKLTG-UHFFFAOYSA-N
XLogP0.66
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(5-hexyl-1,2-oxazol-3-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164613373
(2R)-N-[(3-butyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164615120
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide
CID 164616236
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1,2-oxazol-5-yl)methyl]butanamide
CID 164623436
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 164610794
(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164622759
3-propan-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 153635940
N-{2-[2-(hydroxymethyl)-1-piperidinyl]ethyl}-3-isopropyl-5-isoxazolecarboxamide
CID 70734334
N-[2-(1-azepanyl)-1,1-dimethylethyl]-3-isobutyl-5-isoxazolecarboxamide
CID 70765436
N-[3-(1-azepanyl)-2-hydroxypropyl]-3-isobutyl-5-isoxazolecarboxamide
CID 70771893
2-[4-(3-Pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 71873973
2-[4-(3-Pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]propanamide
CID 72000283

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide (CID 86789001) is 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)NC(C)(CO)CO)on1.
What is the InChIKey of 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is RBGHJDGCUDKLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-8(2)9-5-10(18-14-9)11(17)13-12(3,6-15)7-16/h5,8,15-16H,4,6-7H2,1-3H3,(H,13,17).
What are the key properties of 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide?
3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86789001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).