6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine

C12H14ClN3O — CID 79237569

IUPAC6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1noc(C)c1C(C)Nc1cccc(Cl)n1
InChIInChI=1S/C12H14ClN3O/c1-7(12-8(2)16-17-9(12)3)14-11-6-4-5-10(13)15-11/h4-7H,1-3H3,(H,14,15)
InChIKeyQDRDLHYEJMVGLX-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.51
Rot. Bonds3

About 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine

6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 79237569) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine
PubChem CID79237569
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1noc(C)c1C(C)Nc1cccc(Cl)n1
InChIInChI=1S/C12H14ClN3O/c1-7(12-8(2)16-17-9(12)3)14-11-6-4-5-10(13)15-11/h4-7H,1-3H3,(H,14,15)
InChIKeyQDRDLHYEJMVGLX-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80848647
6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 79241848
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]naphthalen-2-amine
CID 79242430
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041311
6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine
CID 106194451
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 78961580
3,5-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762257
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80941304

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine (CID 79237569) is 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine is Cc1noc(C)c1C(C)Nc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is QDRDLHYEJMVGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7(12-8(2)16-17-9(12)3)14-11-6-4-5-10(13)15-11/h4-7H,1-3H3,(H,14,15).
What are the key properties of 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine?
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 79237569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).