N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine

C12H15N3O — CID 106372261

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine
SMILESCc1cnc(CNCCc2ccncc2)o1
InChIInChI=1S/C12H15N3O/c1-10-8-15-12(16-10)9-14-7-4-11-2-5-13-6-3-11/h2-3,5-6,8,14H,4,7,9H2,1H3
InChIKeyMKFBJFVCDSEJJC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.71
Rot. Bonds5

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 106372261) 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]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine
PubChem CID106372261
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine
SMILESCc1cnc(CNCCc2ccncc2)o1
InChIInChI=1S/C12H15N3O/c1-10-8-15-12(16-10)9-14-7-4-11-2-5-13-6-3-11/h2-3,5-6,8,14H,4,7,9H2,1H3
InChIKeyMKFBJFVCDSEJJC-UHFFFAOYSA-N
XLogP1.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106372226
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyrazin-2-ylmethanamine
CID 106370109
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700658
1-(furan-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275486
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylethanamine
CID 62322147
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 103275184
2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115640601
5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine (CID 106372261) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine is Cc1cnc(CNCCc2ccncc2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is MKFBJFVCDSEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10-8-15-12(16-10)9-14-7-4-11-2-5-13-6-3-11/h2-3,5-6,8,14H,4,7,9H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.71, 5 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]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 106372261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).