N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine

C14H16ClN3O — CID 66185976

IUPACN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CNC1
InChIInChI=1S/C14H16ClN3O/c1-18(12-6-16-7-12)9-14-17-8-13(19-14)10-2-4-11(15)5-3-10/h2-5,8,12,16H,6-7,9H2,1H3
InChIKeyDJJRQMGVVBAKDQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.40
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine (PubChem CID 66185976) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
PubChem CID66185976
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CNC1
InChIInChI=1S/C14H16ClN3O/c1-18(12-6-16-7-12)9-14-17-8-13(19-14)10-2-4-11(15)5-3-10/h2-5,8,12,16H,6-7,9H2,1H3
InChIKeyDJJRQMGVVBAKDQ-UHFFFAOYSA-N
XLogP2.40
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine (CID 66185976) is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine is CN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CNC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine?
The InChIKey is DJJRQMGVVBAKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18(12-6-16-7-12)9-14-17-8-13(19-14)10-2-4-11(15)5-3-10/h2-5,8,12,16H,6-7,9H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine?
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine has a molecular weight of 277.75 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66185976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).