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

C17H24N2O — CID 51885665

IUPAC(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCc1noc(C)c1CN[C@@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-12-15(13(2)20-19-12)11-18-16(17(3,4)5)14-9-7-6-8-10-14/h6-10,16,18H,11H2,1-5H3/t16-/m0/s1
InChIKeyBUTXZOOHUVLTPK-INIZCTEOSA-N
MW272.39 g/mol
LogP4.17
Rot. Bonds4

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

(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 51885665) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
PubChem CID51885665
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCc1noc(C)c1CN[C@@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-12-15(13(2)20-19-12)11-18-16(17(3,4)5)14-9-7-6-8-10-14/h6-10,16,18H,11H2,1-5H3/t16-/m0/s1
InChIKeyBUTXZOOHUVLTPK-INIZCTEOSA-N
XLogP4.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine with MolForge

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Related Compounds

(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 52691160
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
CID 95139264
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
CID 50960435
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine
CID 97339072
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine (CID 51885665) is (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine is Cc1noc(C)c1CN[C@@H](c1ccccc1)C(C)(C)C.
What is the InChIKey of (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is BUTXZOOHUVLTPK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-15(13(2)20-19-12)11-18-16(17(3,4)5)14-9-7-6-8-10-14/h6-10,16,18H,11H2,1-5H3/t16-/m0/s1.
What are the key properties of (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 51885665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).