(1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine

C18H18N2O — CID 45484073

IUPAC(1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nc(-c2ccccc2)co1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-14(15-8-4-2-5-9-15)19-12-18-20-17(13-21-18)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
InChIKeyXPRJNJDFZLUYFP-CQSZACIVSA-N
MW278.36 g/mol
LogP4.19
Rot. Bonds5

About (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine

(1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 45484073) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID45484073
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nc(-c2ccccc2)co1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-14(15-8-4-2-5-9-15)19-12-18-20-17(13-21-18)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
InChIKeyXPRJNJDFZLUYFP-CQSZACIVSA-N
XLogP4.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-1-(4-phenyloxazol-2-yl)octadec-9-en-1-one
CID 10070106
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CID 22493272
7-Phenyl-1-(4-phenyloxazol-2-yl)heptan-1-one
CID 44554614
N-((4-phenyl-2-propyloxazol-5-yl)methyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-amine
CID 46911114
2-Amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 71487023
[2-Amino-2-(hydroxymethyl)-4-[4-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
CID 118716151
2-Amino-2-(2-(4'-(2-propyloxazol-4-yl)-(1,1'-biphenyl)-4-yl)ethyl)propane-1,3-diol
CID 71487030
2-Benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile
CID 829936
(1-Benzyl-piperidin-4-yl)-(2-phenyl-oxazol-4-ylmethyl)-amine
CID 12050198
N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-4-yl)benzene-1-sulfonamide
CID 16031555
N-benzyl-N-ethyl-4-(2-methyl-1,3-oxazol-4-yl)benzene-1-sulfonamide
CID 16031643
N-(3-methylbenzyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 16031679

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 45484073) is (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine is C[C@@H](NCc1nc(-c2ccccc2)co1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is XPRJNJDFZLUYFP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14(15-8-4-2-5-9-15)19-12-18-20-17(13-21-18)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine?
(1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 45484073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).