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

C14H17FN2O — CID 97334741

IUPAC(1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CN[C@H](C)c2ccc(C)c(F)c2)o1
InChIInChI=1S/C14H17FN2O/c1-9-4-5-12(6-13(9)15)11(3)16-8-14-17-7-10(2)18-14/h4-7,11,16H,8H2,1-3H3/t11-/m1/s1
InChIKeyNINGXCQMCQAXDT-LLVKDONJSA-N
MW248.30 g/mol
LogP3.28
Rot. Bonds4

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

(1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 97334741) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID97334741
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CN[C@H](C)c2ccc(C)c(F)c2)o1
InChIInChI=1S/C14H17FN2O/c1-9-4-5-12(6-13(9)15)11(3)16-8-14-17-7-10(2)18-14/h4-7,11,16H,8H2,1-3H3/t11-/m1/s1
InChIKeyNINGXCQMCQAXDT-LLVKDONJSA-N
XLogP3.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 97334741) is (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1cnc(CN[C@H](C)c2ccc(C)c(F)c2)o1.
What is the InChIKey of (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is NINGXCQMCQAXDT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9-4-5-12(6-13(9)15)11(3)16-8-14-17-7-10(2)18-14/h4-7,11,16H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
(1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 248.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 97334741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).