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

C19H18N4O2 — CID 133350787

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(N(C)C(C)c3cc4ccccc4o3)c2)n1
InChIInChI=1S/C19H18N4O2/c1-12(17-10-14-6-4-5-7-16(14)24-17)23(3)18-11-15(8-9-20-18)19-21-13(2)22-25-19/h4-12H,1-3H3
InChIKeyIGMKDQJEVXRSIU-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.38
Rot. Bonds4

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

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133350787) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133350787
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(N(C)C(C)c3cc4ccccc4o3)c2)n1
InChIInChI=1S/C19H18N4O2/c1-12(17-10-14-6-4-5-7-16(14)24-17)23(3)18-11-15(8-9-20-18)19-21-13(2)22-25-19/h4-12H,1-3H3
InChIKeyIGMKDQJEVXRSIU-UHFFFAOYSA-N
XLogP4.38
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133350787) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2ccnc(N(C)C(C)c3cc4ccccc4o3)c2)n1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is IGMKDQJEVXRSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(17-10-14-6-4-5-7-16(14)24-17)23(3)18-11-15(8-9-20-18)19-21-13(2)22-25-19/h4-12H,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 334.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133350787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).