3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol

C17H18N4O2 — CID 167800163

IUPAC3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
SMILESCC(C)c1noc(-c2ccnc(NCc3cccc(O)c3)c2)n1
InChIInChI=1S/C17H18N4O2/c1-11(2)16-20-17(23-21-16)13-6-7-18-15(9-13)19-10-12-4-3-5-14(22)8-12/h3-9,11,22H,10H2,1-2H3,(H,18,19)
InChIKeyJPYGPMBQQDWLRH-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.57
Rot. Bonds5

About 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol

3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 167800163) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID167800163
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
SMILESCC(C)c1noc(-c2ccnc(NCc3cccc(O)c3)c2)n1
InChIInChI=1S/C17H18N4O2/c1-11(2)16-20-17(23-21-16)13-6-7-18-15(9-13)19-10-12-4-3-5-14(22)8-12/h3-9,11,22H,10H2,1-2H3,(H,18,19)
InChIKeyJPYGPMBQQDWLRH-UHFFFAOYSA-N
XLogP3.57
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317191
N-[(2-nitrophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133318076
N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133322061
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-[(5-chloro-2-methoxyphenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317454
3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
CID 82674382
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-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133322446
3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol
CID 133482297
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-(1-cyclobutylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133417791

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol (CID 167800163) is 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol is CC(C)c1noc(-c2ccnc(NCc3cccc(O)c3)c2)n1.
What is the InChIKey of 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is JPYGPMBQQDWLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(2)16-20-17(23-21-16)13-6-7-18-15(9-13)19-10-12-4-3-5-14(22)8-12/h3-9,11,22H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 310.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 167800163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).