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

C8H13N3O — CID 65250257

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
SMILESCc1cc(CN2CC(N)C2)no1
InChIInChI=1S/C8H13N3O/c1-6-2-8(10-12-6)5-11-3-7(9)4-11/h2,7H,3-5,9H2,1H3
InChIKeyPJDJYQPKOSHPJD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.13
Rot. Bonds2

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

1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine (PubChem CID 65250257) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
PubChem CID65250257
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
SMILESCc1cc(CN2CC(N)C2)no1
InChIInChI=1S/C8H13N3O/c1-6-2-8(10-12-6)5-11-3-7(9)4-11/h2,7H,3-5,9H2,1H3
InChIKeyPJDJYQPKOSHPJD-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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Related Compounds

3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 63872193
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 154583036
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081638
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55256260
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944
3-[[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 124963052
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63849789
2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 79407402
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine (CID 65250257) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine is Cc1cc(CN2CC(N)C2)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine?
The InChIKey is PJDJYQPKOSHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-2-8(10-12-6)5-11-3-7(9)4-11/h2,7H,3-5,9H2,1H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine?
1-[(5-methyl-1,2-oxazol-3-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-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 65250257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).