2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole

C10H15NO — CID 23395161

IUPAC2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole
SMILESCC/C=C/c1ncc(C(C)C)o1
InChIInChI=1S/C10H15NO/c1-4-5-6-10-11-7-9(12-10)8(2)3/h5-8H,4H2,1-3H3/b6-5+
InChIKeyNWZPNMRZCMCUAE-AATRIKPKSA-N
MW165.24 g/mol
LogP3.22
Rot. Bonds3

About 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole

2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole (PubChem CID 23395161) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole
PubChem CID23395161
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole
SMILESCC/C=C/c1ncc(C(C)C)o1
InChIInChI=1S/C10H15NO/c1-4-5-6-10-11-7-9(12-10)8(2)3/h5-8H,4H2,1-3H3/b6-5+
InChIKeyNWZPNMRZCMCUAE-AATRIKPKSA-N
XLogP3.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole (CID 23395161) is 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole is CC/C=C/c1ncc(C(C)C)o1.
What is the InChIKey of 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole?
The InChIKey is NWZPNMRZCMCUAE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-5-6-10-11-7-9(12-10)8(2)3/h5-8H,4H2,1-3H3/b6-5+.
What are the key properties of 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole?
2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole has a molecular weight of 165.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 23395161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).