3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine

C12H16N4O — CID 106378568

IUPAC3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
SMILESCCNc1cncc(NCc2ncc(C)o2)c1
InChIInChI=1S/C12H16N4O/c1-3-14-10-4-11(7-13-6-10)15-8-12-16-5-9(2)17-12/h4-7,14-15H,3,8H2,1-2H3
InChIKeyAZGSKNBPYWAIRI-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.42
Rot. Bonds5

About 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine

3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine (PubChem CID 106378568) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
PubChem CID106378568
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
SMILESCCNc1cncc(NCc2ncc(C)o2)c1
InChIInChI=1S/C12H16N4O/c1-3-14-10-4-11(7-13-6-10)15-8-12-16-5-9(2)17-12/h4-7,14-15H,3,8H2,1-2H3
InChIKeyAZGSKNBPYWAIRI-UHFFFAOYSA-N
XLogP2.42
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378679
3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 113424030
6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106378619
3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 84587908
6-N,2-diethyl-5-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378700
1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one
CID 106373886
3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
CID 114181142
5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106378642
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106373911
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 106378655

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine (CID 106378568) is 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine is CCNc1cncc(NCc2ncc(C)o2)c1.
What is the InChIKey of 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine?
The InChIKey is AZGSKNBPYWAIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-14-10-4-11(7-13-6-10)15-8-12-16-5-9(2)17-12/h4-7,14-15H,3,8H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine?
3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine has a molecular weight of 232.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 106378568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).