4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole

C10H19NO — CID 134267440

IUPAC4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1=NOC(C(C)C)C1C
InChIInChI=1S/C10H19NO/c1-6(2)9-8(5)10(7(3)4)12-11-9/h6-8,10H,1-5H3
InChIKeyBIZUTQHLIODTJE-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.69
Rot. Bonds2

About 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole

4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 134267440) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole
PubChem CID134267440
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1=NOC(C(C)C)C1C
InChIInChI=1S/C10H19NO/c1-6(2)9-8(5)10(7(3)4)12-11-9/h6-8,10H,1-5H3
InChIKeyBIZUTQHLIODTJE-UHFFFAOYSA-N
XLogP2.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
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(3S,4R,5R)-3,4-dimethyl-5-propan-2-yloxolan-2-one
CID 45096004
5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
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(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
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4-methyl-5-propan-2-yloxolan-2-ol
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3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole;ethane
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(6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)
CID 20593562
5-propan-2-yl-4H-triazol-4-ol
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(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one
CID 92979432

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole (CID 134267440) is 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole is CC(C)C1=NOC(C(C)C)C1C.
What is the InChIKey of 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is BIZUTQHLIODTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6(2)9-8(5)10(7(3)4)12-11-9/h6-8,10H,1-5H3.
What are the key properties of 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole?
4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 134267440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).