(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine

C23H23N3O2 — CID 42244928

IUPAC(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@H](C)c1ccon1
InChIInChI=1S/C23H23N3O2/c1-16(21-13-14-27-25-21)26(3)15-22-17(2)28-23(24-22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3/t16-/m1/s1
InChIKeyRBUOVUPHZPCOBP-MRXNPFEDSA-N
MW373.46 g/mol
LogP5.50
Rot. Bonds6

About (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine

(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 42244928) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID42244928
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@H](C)c1ccon1
InChIInChI=1S/C23H23N3O2/c1-16(21-13-14-27-25-21)26(3)15-22-17(2)28-23(24-22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3/t16-/m1/s1
InChIKeyRBUOVUPHZPCOBP-MRXNPFEDSA-N
XLogP5.50
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45215445
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45203103
N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45227041
(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42565505
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 45176851
(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine
CID 125168599
(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 42287529
(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 25491748
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 50964223
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
CID 95728045
(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine (CID 42244928) is (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine is Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@H](C)c1ccon1.
What is the InChIKey of (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is RBUOVUPHZPCOBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16(21-13-14-27-25-21)26(3)15-22-17(2)28-23(24-22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 373.46 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 42244928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).