N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C19H18N4O2 — CID 133317191

IUPACN-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(NCc3cc4ccccc4o3)c2)n1
InChIInChI=1S/C19H18N4O2/c1-12(2)18-22-19(25-23-18)14-7-8-20-17(10-14)21-11-15-9-13-5-3-4-6-16(13)24-15/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyUWCKWAPRVFHOPR-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.61
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133317191) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133317191
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(NCc3cc4ccccc4o3)c2)n1
InChIInChI=1S/C19H18N4O2/c1-12(2)18-22-19(25-23-18)14-7-8-20-17(10-14)21-11-15-9-13-5-3-4-6-16(13)24-15/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyUWCKWAPRVFHOPR-UHFFFAOYSA-N
XLogP4.61
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 167800163
N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133322061
N-[(2-nitrophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133318076
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317454
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133459006
N-(2-piperidin-1-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133316709
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 71871464
N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133322446
1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol
CID 133383194
N-(1-cyclobutylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133417791
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 154800103
N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine
CID 171680431

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133317191) is N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CC(C)c1noc(-c2ccnc(NCc3cc4ccccc4o3)c2)n1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is UWCKWAPRVFHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(2)18-22-19(25-23-18)14-7-8-20-17(10-14)21-11-15-9-13-5-3-4-6-16(13)24-15/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 334.38 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133317191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).