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

C12H15N3O — CID 103917075

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1cnc(CNC(C)c2cccnc2)o1
InChIInChI=1S/C12H15N3O/c1-9-6-15-12(16-9)8-14-10(2)11-4-3-5-13-7-11/h3-7,10,14H,8H2,1-2H3
InChIKeyWCYRTMGHPFNKCF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 103917075) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID103917075
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1cnc(CNC(C)c2cccnc2)o1
InChIInChI=1S/C12H15N3O/c1-9-6-15-12(16-9)8-14-10(2)11-4-3-5-13-7-11/h3-7,10,14H,8H2,1-2H3
InChIKeyWCYRTMGHPFNKCF-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 113350582
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 106370039
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103912999
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148
(1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 81404854
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 103913010
5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophene-2-carbonitrile
CID 113250098
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine (CID 103917075) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine is Cc1cnc(CNC(C)c2cccnc2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is WCYRTMGHPFNKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-6-15-12(16-9)8-14-10(2)11-4-3-5-13-7-11/h3-7,10,14H,8H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 103917075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).