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

C13H17N3O2 — CID 43706464

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1c(C)noc1C
InChIInChI=1S/C13H17N3O2/c1-4-17-13-12(6-5-7-14-13)15-8-11-9(2)16-18-10(11)3/h5-7,15H,4,8H2,1-3H3
InChIKeyOKAIONYJXYFLKE-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.70
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine (PubChem CID 43706464) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine
PubChem CID43706464
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1c(C)noc1C
InChIInChI=1S/C13H17N3O2/c1-4-17-13-12(6-5-7-14-13)15-8-11-9(2)16-18-10(11)3/h5-7,15H,4,8H2,1-3H3
InChIKeyOKAIONYJXYFLKE-UHFFFAOYSA-N
XLogP2.70
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676491
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
2-ethoxy-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 43706255
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 79236204
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyridin-3-amine
CID 63329724
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
2-ethoxy-N-(naphthalen-1-ylmethyl)pyridin-3-amine
CID 43706191
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35389987

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine (CID 43706464) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine is CCOc1ncccc1NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine?
The InChIKey is OKAIONYJXYFLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-17-13-12(6-5-7-14-13)15-8-11-9(2)16-18-10(11)3/h5-7,15H,4,8H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine has a molecular weight of 247.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine is sourced from PubChem (CID 43706464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).