N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine

C19H27N3O — CID 56705521

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine
SMILESCc1cccc(N2CCC(NCc3c(C)noc3C)CC2)c1C
InChIInChI=1S/C19H27N3O/c1-13-6-5-7-19(14(13)2)22-10-8-17(9-11-22)20-12-18-15(3)21-23-16(18)4/h5-7,17,20H,8-12H2,1-4H3
InChIKeyROPFYBDQMRODHJ-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.67
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine (PubChem CID 56705521) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine
PubChem CID56705521
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine
SMILESCc1cccc(N2CCC(NCc3c(C)noc3C)CC2)c1C
InChIInChI=1S/C19H27N3O/c1-13-6-5-7-19(14(13)2)22-10-8-17(9-11-22)20-12-18-15(3)21-23-16(18)4/h5-7,17,20H,8-12H2,1-4H3
InChIKeyROPFYBDQMRODHJ-UHFFFAOYSA-N
XLogP3.67
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-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

Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 79231652
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675430
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine
CID 126441523
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 56715058
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43748006
(3S)-1-(4-chloro-3-fluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 97337780
1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid
CID 154907320
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 61210087
1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine
CID 122571193
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64738720

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine (CID 56705521) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine is Cc1cccc(N2CCC(NCc3c(C)noc3C)CC2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine?
The InChIKey is ROPFYBDQMRODHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13-6-5-7-19(14(13)2)22-10-8-17(9-11-22)20-12-18-15(3)21-23-16(18)4/h5-7,17,20H,8-12H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine is sourced from PubChem (CID 56705521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).