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

C18H23ClN2O2 — CID 56775674

IUPACN-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCC(C)Cc1cc(CC2(NCc3ccccc3Cl)COC2)no1
InChIInChI=1S/C18H23ClN2O2/c1-13(2)7-16-8-15(21-23-16)9-18(11-22-12-18)20-10-14-5-3-4-6-17(14)19/h3-6,8,13,20H,7,9-12H2,1-2H3
InChIKeySUBSUBYHADWURY-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.63
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775674) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775674
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCC(C)Cc1cc(CC2(NCc3ccccc3Cl)COC2)no1
InChIInChI=1S/C18H23ClN2O2/c1-13(2)7-16-8-15(21-23-16)9-18(11-22-12-18)20-10-14-5-3-4-6-17(14)19/h3-6,8,13,20H,7,9-12H2,1-2H3
InChIKeySUBSUBYHADWURY-UHFFFAOYSA-N
XLogP3.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775674) is N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is CC(C)Cc1cc(CC2(NCc3ccccc3Cl)COC2)no1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is SUBSUBYHADWURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-13(2)7-16-8-15(21-23-16)9-18(11-22-12-18)20-10-14-5-3-4-6-17(14)19/h3-6,8,13,20H,7,9-12H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 334.85 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).