N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine

C18H23N3O — CID 139770804

IUPACN-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine
SMILESc1ccc2c(c1)CCCC2c1nocc1NN1CCCCC1
InChIInChI=1S/C18H23N3O/c1-4-11-21(12-5-1)19-17-13-22-20-18(17)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,7,9,13,16,19H,1,4-6,8,10-12H2
InChIKeyMNOUQKKLMWRLRY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.96
Rot. Bonds3

About N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine

N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine (PubChem CID 139770804) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine
PubChem CID139770804
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine
SMILESc1ccc2c(c1)CCCC2c1nocc1NN1CCCCC1
InChIInChI=1S/C18H23N3O/c1-4-11-21(12-5-1)19-17-13-22-20-18(17)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,7,9,13,16,19H,1,4-6,8,10-12H2
InChIKeyMNOUQKKLMWRLRY-UHFFFAOYSA-N
XLogP3.96
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-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-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine?
The IUPAC name of N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine (CID 139770804) is N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine?
The canonical SMILES for N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine is c1ccc2c(c1)CCCC2c1nocc1NN1CCCCC1.
What is the InChIKey of N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine?
The InChIKey is MNOUQKKLMWRLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-11-21(12-5-1)19-17-13-22-20-18(17)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,7,9,13,16,19H,1,4-6,8,10-12H2.
What are the key properties of N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine?
N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine has a molecular weight of 297.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 139770804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).