N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine

C18H18N4O2 — CID 133483110

IUPACN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NCc3ccnc(OCC4CC4)c3)no2)cc1
InChIInChI=1S/C18H18N4O2/c1-2-4-15(5-3-1)17-21-18(22-24-17)20-11-14-8-9-19-16(10-14)23-12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2,(H,20,22)
InChIKeyVLKGWBXATPGUFX-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.53
Rot. Bonds7

About N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine

N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 133483110) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID133483110
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NCc3ccnc(OCC4CC4)c3)no2)cc1
InChIInChI=1S/C18H18N4O2/c1-2-4-15(5-3-1)17-21-18(22-24-17)20-11-14-8-9-19-16(10-14)23-12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2,(H,20,22)
InChIKeyVLKGWBXATPGUFX-UHFFFAOYSA-N
XLogP3.53
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine (CID 133483110) is N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine is c1ccc(-c2nc(NCc3ccnc(OCC4CC4)c3)no2)cc1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is VLKGWBXATPGUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-4-15(5-3-1)17-21-18(22-24-17)20-11-14-8-9-19-16(10-14)23-12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2,(H,20,22).
What are the key properties of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 322.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133483110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).