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

C19H32N2O2 — CID 56774055

IUPACN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine
SMILESCC(C)(C)c1cc(C[C@@H]2C[C@H](NC3CCOCC3)C2(C)C)no1
InChIInChI=1S/C19H32N2O2/c1-18(2,3)17-12-15(21-23-17)10-13-11-16(19(13,4)5)20-14-6-8-22-9-7-14/h12-14,16,20H,6-11H2,1-5H3/t13-,16+/m1/s1
InChIKeySGNZICWAHOORJV-CJNGLKHVSA-N
MW320.48 g/mol
LogP3.70
Rot. Bonds4

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

N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine (PubChem CID 56774055) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine
PubChem CID56774055
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine
SMILESCC(C)(C)c1cc(C[C@@H]2C[C@H](NC3CCOCC3)C2(C)C)no1
InChIInChI=1S/C19H32N2O2/c1-18(2,3)17-12-15(21-23-17)10-13-11-16(19(13,4)5)20-14-6-8-22-9-7-14/h12-14,16,20H,6-11H2,1-5H3/t13-,16+/m1/s1
InChIKeySGNZICWAHOORJV-CJNGLKHVSA-N
XLogP3.70
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.70
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]oxan-4-amine?
The IUPAC name of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine (CID 56774055) is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine.
What is the SMILES notation for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine?
The canonical SMILES for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine is CC(C)(C)c1cc(C[C@@H]2C[C@H](NC3CCOCC3)C2(C)C)no1.
What is the InChIKey of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine?
The InChIKey is SGNZICWAHOORJV-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2,3)17-12-15(21-23-17)10-13-11-16(19(13,4)5)20-14-6-8-22-9-7-14/h12-14,16,20H,6-11H2,1-5H3/t13-,16+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine?
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]oxan-4-amine has a molecular weight of 320.48 g/mol, XLogP of 3.70, 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]oxan-4-amine is sourced from PubChem (CID 56774055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).