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

C18H18FN3O — CID 95900092

IUPAC(1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1cnc(CN(C)[C@@H](c2cccc(F)c2)c2ccccn2)o1
InChIInChI=1S/C18H18FN3O/c1-13-11-21-17(23-13)12-22(2)18(16-8-3-4-9-20-16)14-6-5-7-15(19)10-14/h3-11,18H,12H2,1-2H3/t18-/m0/s1
InChIKeyDRXHULBRZKRBGN-SFHVURJKSA-N
MW311.36 g/mol
LogP3.74
Rot. Bonds5

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

(1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 95900092) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID95900092
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1cnc(CN(C)[C@@H](c2cccc(F)c2)c2ccccn2)o1
InChIInChI=1S/C18H18FN3O/c1-13-11-21-17(23-13)12-22(2)18(16-8-3-4-9-20-16)14-6-5-7-15(19)10-14/h3-11,18H,12H2,1-2H3/t18-/m0/s1
InChIKeyDRXHULBRZKRBGN-SFHVURJKSA-N
XLogP3.74
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine (CID 95900092) is (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine is Cc1cnc(CN(C)[C@@H](c2cccc(F)c2)c2ccccn2)o1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is DRXHULBRZKRBGN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-13-11-21-17(23-13)12-22(2)18(16-8-3-4-9-20-16)14-6-5-7-15(19)10-14/h3-11,18H,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine?
(1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 311.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 95900092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).