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

C11H13ClN4O — CID 114182292

IUPAC3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1cnc(C(C)Nc2ncc(N)cc2Cl)o1
InChIInChI=1S/C11H13ClN4O/c1-6-4-15-11(17-6)7(2)16-10-9(12)3-8(13)5-14-10/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyJXTPLWDAUJIETC-UHFFFAOYSA-N
MW252.71 g/mol
LogP2.79
Rot. Bonds3

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

3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 114182292) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID114182292
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1cnc(C(C)Nc2ncc(N)cc2Cl)o1
InChIInChI=1S/C11H13ClN4O/c1-6-4-15-11(17-6)7(2)16-10-9(12)3-8(13)5-14-10/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyJXTPLWDAUJIETC-UHFFFAOYSA-N
XLogP2.79
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
CID 82468511
5-chloro-2-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390455
3,5-dichloro-6-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106390393
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazin-2-amine
CID 106388768
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 106387593
1-methyl-3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 106387646
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenecarbothioamide
CID 106388558
6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946658
6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106389477
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
CID 114182553
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine (CID 114182292) is 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine is Cc1cnc(C(C)Nc2ncc(N)cc2Cl)o1.
What is the InChIKey of 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is JXTPLWDAUJIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-4-15-11(17-6)7(2)16-10-9(12)3-8(13)5-14-10/h3-5,7H,13H2,1-2H3,(H,14,16).
What are the key properties of 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine?
3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 252.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 114182292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).