3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine

C11H12ClN3O — CID 75515539

IUPAC3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CN(C)c2ncccc2Cl)no1
InChIInChI=1S/C11H12ClN3O/c1-8-6-9(14-16-8)7-15(2)11-10(12)4-3-5-13-11/h3-6H,7H2,1-2H3
InChIKeyCCSPVOOYHRQHSS-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.67
Rot. Bonds3

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

3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine (PubChem CID 75515539) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
PubChem CID75515539
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CN(C)c2ncccc2Cl)no1
InChIInChI=1S/C11H12ClN3O/c1-8-6-9(14-16-8)7-15(2)11-10(12)4-3-5-13-11/h3-6H,7H2,1-2H3
InChIKeyCCSPVOOYHRQHSS-UHFFFAOYSA-N
XLogP2.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine (CID 75515539) is 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine is Cc1cc(CN(C)c2ncccc2Cl)no1.
What is the InChIKey of 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is CCSPVOOYHRQHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8-6-9(14-16-8)7-15(2)11-10(12)4-3-5-13-11/h3-6H,7H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 75515539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).