1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine

C8H13N3O — CID 146082159

IUPAC1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine
SMILESCc1ncc(CN2CC(N)C2)o1
InChIInChI=1S/C8H13N3O/c1-6-10-2-8(12-6)5-11-3-7(9)4-11/h2,7H,3-5,9H2,1H3
InChIKeyUJZWVVLJBISJMG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.13
Rot. Bonds2

About 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine

1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine (PubChem CID 146082159) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine
PubChem CID146082159
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine
SMILESCc1ncc(CN2CC(N)C2)o1
InChIInChI=1S/C8H13N3O/c1-6-10-2-8(12-6)5-11-3-7(9)4-11/h2,7H,3-5,9H2,1H3
InChIKeyUJZWVVLJBISJMG-UHFFFAOYSA-N
XLogP0.13
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine (CID 146082159) is 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine is Cc1ncc(CN2CC(N)C2)o1.
What is the InChIKey of 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine?
The InChIKey is UJZWVVLJBISJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-10-2-8(12-6)5-11-3-7(9)4-11/h2,7H,3-5,9H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine?
1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine has a molecular weight of 167.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 146082159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).