3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine

C20H19ClN2O — CID 139770820

IUPAC3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine
SMILESNc1conc1C1CCCc2ccc(Cc3ccccc3Cl)cc21
InChIInChI=1S/C20H19ClN2O/c21-18-7-2-1-4-15(18)10-13-8-9-14-5-3-6-16(17(14)11-13)20-19(22)12-24-23-20/h1-2,4,7-9,11-12,16H,3,5-6,10,22H2
InChIKeyMXVZZEQYFUQVOT-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.97
Rot. Bonds3

About 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine

3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine (PubChem CID 139770820) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine
PubChem CID139770820
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine
SMILESNc1conc1C1CCCc2ccc(Cc3ccccc3Cl)cc21
InChIInChI=1S/C20H19ClN2O/c21-18-7-2-1-4-15(18)10-13-8-9-14-5-3-6-16(17(14)11-13)20-19(22)12-24-23-20/h1-2,4,7-9,11-12,16H,3,5-6,10,22H2
InChIKeyMXVZZEQYFUQVOT-UHFFFAOYSA-N
XLogP4.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine?
The IUPAC name of 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine (CID 139770820) is 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine.
What is the SMILES notation for 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine?
The canonical SMILES for 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine is Nc1conc1C1CCCc2ccc(Cc3ccccc3Cl)cc21.
What is the InChIKey of 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine?
The InChIKey is MXVZZEQYFUQVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-18-7-2-1-4-15(18)10-13-8-9-14-5-3-6-16(17(14)11-13)20-19(22)12-24-23-20/h1-2,4,7-9,11-12,16H,3,5-6,10,22H2.
What are the key properties of 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine?
3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine has a molecular weight of 338.84 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazol-4-amine is sourced from PubChem (CID 139770820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).