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

C19H17N5O2 — CID 75373013

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1noc(-c2ccnc(NCCc3coc(-c4ccccc4)n3)c2)n1
InChIInChI=1S/C19H17N5O2/c1-13-22-19(26-24-13)15-7-9-20-17(11-15)21-10-8-16-12-25-18(23-16)14-5-3-2-4-6-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,21)
InChIKeyMKIWSVRYDVBJIT-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.75
Rot. Bonds6

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

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 75373013) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine
PubChem CID75373013
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1noc(-c2ccnc(NCCc3coc(-c4ccccc4)n3)c2)n1
InChIInChI=1S/C19H17N5O2/c1-13-22-19(26-24-13)15-7-9-20-17(11-15)21-10-8-16-12-25-18(23-16)14-5-3-2-4-6-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,21)
InChIKeyMKIWSVRYDVBJIT-UHFFFAOYSA-N
XLogP3.75
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine (CID 75373013) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine is Cc1noc(-c2ccnc(NCCc3coc(-c4ccccc4)n3)c2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is MKIWSVRYDVBJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13-22-19(26-24-13)15-7-9-20-17(11-15)21-10-8-16-12-25-18(23-16)14-5-3-2-4-6-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,21).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 347.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 75373013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).