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

C18H18FN3O — CID 75375178

IUPAC1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1cnc(CN(C)C(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
InChIKeyDRXHULBRZKRBGN-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.74
Rot. Bonds5

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

1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 75375178) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID75375178
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1cnc(CN(C)C(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
InChIKeyDRXHULBRZKRBGN-UHFFFAOYSA-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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Related Compounds

N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide
CID 156058452
(2S,4R)-N-[(S)-[5-(3,3-difluorocyclobutyl)-2-pyridinyl]-phenylmethyl]-4-fluoro-1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138959
(2S,4R)-N-[(S)-[5-(3,3-difluorocyclobutyl)-6-fluoro-2-pyridinyl]-phenylmethyl]-4-fluoro-1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139238
(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-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872519
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872527
5-Tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole
CID 71906438
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide
CID 71928354
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928366

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine (CID 75375178) is 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine is Cc1cnc(CN(C)C(c2cccc(F)c2)c2ccccn2)o1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is DRXHULBRZKRBGN-UHFFFAOYSA-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.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine?
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 1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 75375178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).