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

C19H19F2N3O — CID 97213812

IUPAC(1S)-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-/m0/s1
InChIKeyAIVAOERLLGRHKY-IBGZPJMESA-N
MW343.38 g/mol
LogP4.19
Rot. Bonds5

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

(1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 97213812) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID97213812
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(1S)-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-/m0/s1
InChIKeyAIVAOERLLGRHKY-IBGZPJMESA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (CID 97213812) is (1S)-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 (1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for (1S)-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 (1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is AIVAOERLLGRHKY-IBGZPJMESA-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-/m0/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
(1S)-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 (1S)-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 97213812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).