(1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine

C19H19F2N3O — CID 97213813

IUPAC(1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCc1nc(CN(C)[C@H](c2cccnc2)c2ccc(F)cc2F)oc1C
InChIInChI=1S/C19H19F2N3O/c1-12-13(2)25-18(23-12)11-24(3)19(14-5-4-8-22-10-14)16-7-6-15(20)9-17(16)21/h4-10,19H,11H2,1-3H3/t19-/m1/s1
InChIKeyAIVAOERLLGRHKY-LJQANCHMSA-N
MW343.38 g/mol
LogP4.19
Rot. Bonds5

About (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine

(1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 97213813) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID97213813
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCc1nc(CN(C)[C@H](c2cccnc2)c2ccc(F)cc2F)oc1C
InChIInChI=1S/C19H19F2N3O/c1-12-13(2)25-18(23-12)11-24(3)19(14-5-4-8-22-10-14)16-7-6-15(20)9-17(16)21/h4-10,19H,11H2,1-3H3/t19-/m1/s1
InChIKeyAIVAOERLLGRHKY-LJQANCHMSA-N
XLogP4.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-fluoro-1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165139462
(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139675
(2S,4R)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 167188665
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 72111579
N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71928376
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71928390
(2-Cyclobutyl-5-methyl-1,3-oxazol-4-yl)[2-(3-pyridyl)piperidino]methanone
CID 53195327
2-[[(3-fluorophenyl)methyl-(1-phenylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 46001154
2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46149107
1-[(2-Fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
CID 75374002
(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine
CID 95210403
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 97066858

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (CID 97213813) is (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine is Cc1nc(CN(C)[C@H](c2cccnc2)c2ccc(F)cc2F)oc1C.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is AIVAOERLLGRHKY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-12-13(2)25-18(23-12)11-24(3)19(14-5-4-8-22-10-14)16-7-6-15(20)9-17(16)21/h4-10,19H,11H2,1-3H3/t19-/m1/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
(1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 343.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 97213813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).