N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

C14H18FN3O — CID 106370438

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(NCc1nc(C)c(C)o1)c1ccc(F)cn1
InChIInChI=1S/C14H18FN3O/c1-4-12(13-6-5-11(15)7-16-13)17-8-14-18-9(2)10(3)19-14/h5-7,12,17H,4,8H2,1-3H3
InChIKeyMPISGIPHMQOFAJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.07
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 106370438) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID106370438
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(NCc1nc(C)c(C)o1)c1ccc(F)cn1
InChIInChI=1S/C14H18FN3O/c1-4-12(13-6-5-11(15)7-16-13)17-8-14-18-9(2)10(3)19-14/h5-7,12,17H,4,8H2,1-3H3
InChIKeyMPISGIPHMQOFAJ-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 106370438) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCC(NCc1nc(C)c(C)o1)c1ccc(F)cn1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is MPISGIPHMQOFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-12(13-6-5-11(15)7-16-13)17-8-14-18-9(2)10(3)19-14/h5-7,12,17H,4,8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 106370438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).