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

C17H24N2O — CID 129433141

IUPAC(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine
SMILESCc1noc(C)c1CCCNC[C@H](C)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-13(16-8-5-4-6-9-16)12-18-11-7-10-17-14(2)19-20-15(17)3/h4-6,8-9,13,18H,7,10-12H2,1-3H3/t13-/m0/s1
InChIKeyJBQYUSYTJOYMLM-ZDUSSCGKSA-N
MW272.39 g/mol
LogP3.62
Rot. Bonds7

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

(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine (PubChem CID 129433141) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine
PubChem CID129433141
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine
SMILESCc1noc(C)c1CCCNC[C@H](C)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-13(16-8-5-4-6-9-16)12-18-11-7-10-17-14(2)19-20-15(17)3/h4-6,8-9,13,18H,7,10-12H2,1-3H3/t13-/m0/s1
InChIKeyJBQYUSYTJOYMLM-ZDUSSCGKSA-N
XLogP3.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
CID 141296003
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2S)-2-thiophen-3-ylpropyl]urea
CID 97030505
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2,3-diphenylpropyl)-2-methylguanidine
CID 109389801
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
CID 119951357
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine?
The IUPAC name of (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine (CID 129433141) is (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine.
What is the SMILES notation for (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine?
The canonical SMILES for (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine is Cc1noc(C)c1CCCNC[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine?
The InChIKey is JBQYUSYTJOYMLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(16-8-5-4-6-9-16)12-18-11-7-10-17-14(2)19-20-15(17)3/h4-6,8-9,13,18H,7,10-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine?
(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 129433141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).