3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol

C10H19NO2 — CID 141086676

IUPAC3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol
SMILESCCCC1OC=C(C)N1CCCO
InChIInChI=1S/C10H19NO2/c1-3-5-10-11(6-4-7-12)9(2)8-13-10/h8,10,12H,3-7H2,1-2H3
InChIKeyBRGAKONXKZYJKA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.69
Rot. Bonds5

About 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol

3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol (PubChem CID 141086676) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol
PubChem CID141086676
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol
SMILESCCCC1OC=C(C)N1CCCO
InChIInChI=1S/C10H19NO2/c1-3-5-10-11(6-4-7-12)9(2)8-13-10/h8,10,12H,3-7H2,1-2H3
InChIKeyBRGAKONXKZYJKA-UHFFFAOYSA-N
XLogP1.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol?
The IUPAC name of 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol (CID 141086676) is 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol is CCCC1OC=C(C)N1CCCO.
What is the InChIKey of 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol?
The InChIKey is BRGAKONXKZYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-10-11(6-4-7-12)9(2)8-13-10/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol?
3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-propyl-2H-1,3-oxazol-3-yl)propan-1-ol is sourced from PubChem (CID 141086676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).