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

C10H10ClN3O — CID 103756549

IUPAC2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine
SMILESCc1cc(CNc2ccnc(Cl)c2)on1
InChIInChI=1S/C10H10ClN3O/c1-7-4-9(15-14-7)6-13-8-2-3-12-10(11)5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyJXFIWQAINQUBJN-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.64
Rot. Bonds3

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

2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine (PubChem CID 103756549) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine
PubChem CID103756549
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine
SMILESCc1cc(CNc2ccnc(Cl)c2)on1
InChIInChI=1S/C10H10ClN3O/c1-7-4-9(15-14-7)6-13-8-2-3-12-10(11)5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyJXFIWQAINQUBJN-UHFFFAOYSA-N
XLogP2.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.64
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

3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 126782089
5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 79839784
N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702757
2-amino-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzonitrile
CID 113323939
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-nitroaniline
CID 60720600
2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547170
2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzonitrile
CID 55209154
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912
N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 82594380
2-fluoro-4-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzenecarbothioamide
CID 113295875
2-chloro-N-(3-methylpentan-3-yl)pyridin-4-amine
CID 106330915
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine (CID 103756549) is 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine is Cc1cc(CNc2ccnc(Cl)c2)on1.
What is the InChIKey of 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine?
The InChIKey is JXFIWQAINQUBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7-4-9(15-14-7)6-13-8-2-3-12-10(11)5-8/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine?
2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine has a molecular weight of 223.66 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 103756549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).