N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine

C20H35N3O — CID 56774053

IUPACN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N[C@H]2C[C@@H](Cc3cc(C(C)(C)C)on3)C2(C)C)CC1
InChIInChI=1S/C20H35N3O/c1-19(2,3)18-13-16(22-24-18)11-14-12-17(20(14,4)5)21-15-7-9-23(6)10-8-15/h13-15,17,21H,7-12H2,1-6H3/t14-,17+/m1/s1
InChIKeyYYJYEXRPKMXGLN-PBHICJAKSA-N
MW333.52 g/mol
LogP3.61
Rot. Bonds4

About N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine

N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine (PubChem CID 56774053) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine
PubChem CID56774053
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N[C@H]2C[C@@H](Cc3cc(C(C)(C)C)on3)C2(C)C)CC1
InChIInChI=1S/C20H35N3O/c1-19(2,3)18-13-16(22-24-18)11-14-12-17(20(14,4)5)21-15-7-9-23(6)10-8-15/h13-15,17,21H,7-12H2,1-6H3/t14-,17+/m1/s1
InChIKeyYYJYEXRPKMXGLN-PBHICJAKSA-N
XLogP3.61
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine (CID 56774053) is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine is CN1CCC(N[C@H]2C[C@@H](Cc3cc(C(C)(C)C)on3)C2(C)C)CC1.
What is the InChIKey of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine?
The InChIKey is YYJYEXRPKMXGLN-PBHICJAKSA-N. The full InChI is InChI=1S/C20H35N3O/c1-19(2,3)18-13-16(22-24-18)11-14-12-17(20(14,4)5)21-15-7-9-23(6)10-8-15/h13-15,17,21H,7-12H2,1-6H3/t14-,17+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine?
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine has a molecular weight of 333.52 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 56774053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).