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

C15H20N2O2 — CID 50960435

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
SMILESCc1noc(C)c1CNC(C)COc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(10-18-14-7-5-4-6-8-14)16-9-15-12(2)17-19-13(15)3/h4-8,11,16H,9-10H2,1-3H3
InChIKeyWRNMNIFYNHVZEZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.85
Rot. Bonds6

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine (PubChem CID 50960435) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
PubChem CID50960435
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
SMILESCc1noc(C)c1CNC(C)COc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(10-18-14-7-5-4-6-8-14)16-9-15-12(2)17-19-13(15)3/h4-8,11,16H,9-10H2,1-3H3
InChIKeyWRNMNIFYNHVZEZ-UHFFFAOYSA-N
XLogP2.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 79237158
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885665
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea
CID 47863203
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43183570
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-2-amine
CID 95228083
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
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 115712429

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine (CID 50960435) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine is Cc1noc(C)c1CNC(C)COc1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine?
The InChIKey is WRNMNIFYNHVZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(10-18-14-7-5-4-6-8-14)16-9-15-12(2)17-19-13(15)3/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.85, 6 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-phenoxypropan-2-amine is sourced from PubChem (CID 50960435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).