4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole

C10H16N2O — CID 131176372

IUPAC4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CN1CCC1
InChIInChI=1S/C10H16N2O/c1-8(2)10-9(11-7-13-10)6-12-4-3-5-12/h7-8H,3-6H2,1-2H3
InChIKeyYJLYZICQCKQBNX-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.00
Rot. Bonds3

About 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole

4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 131176372) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID131176372
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CN1CCC1
InChIInChI=1S/C10H16N2O/c1-8(2)10-9(11-7-13-10)6-12-4-3-5-12/h7-8H,3-6H2,1-2H3
InChIKeyYJLYZICQCKQBNX-UHFFFAOYSA-N
XLogP2.00
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole (CID 131176372) is 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1CN1CCC1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is YJLYZICQCKQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)10-9(11-7-13-10)6-12-4-3-5-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole?
4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 180.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 131176372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).