(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine

C21H23ClN2O2 — CID 97002571

IUPAC(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine
SMILESCOc1cccc(CN(C)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C21H23ClN2O2/c1-14-20(17-8-10-18(22)11-9-17)26-21(23-14)15(2)24(3)13-16-6-5-7-19(12-16)25-4/h5-12,15H,13H2,1-4H3/t15-/m1/s1
InChIKeyLNFYMIBGVGPSNJ-OAHLLOKOSA-N
MW370.88 g/mol
LogP5.51
Rot. Bonds6

About (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine

(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine (PubChem CID 97002571) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine
PubChem CID97002571
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine
SMILESCOc1cccc(CN(C)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C21H23ClN2O2/c1-14-20(17-8-10-18(22)11-9-17)26-21(23-14)15(2)24(3)13-16-6-5-7-19(12-16)25-4/h5-12,15H,13H2,1-4H3/t15-/m1/s1
InChIKeyLNFYMIBGVGPSNJ-OAHLLOKOSA-N
XLogP5.51
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine?
The IUPAC name of (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine (CID 97002571) is (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine?
The canonical SMILES for (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine is COc1cccc(CN(C)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine?
The InChIKey is LNFYMIBGVGPSNJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-20(17-8-10-18(22)11-9-17)26-21(23-14)15(2)24(3)13-16-6-5-7-19(12-16)25-4/h5-12,15H,13H2,1-4H3/t15-/m1/s1.
What are the key properties of (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine?
(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine has a molecular weight of 370.88 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 97002571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).