1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine

C15H18N4O2 — CID 123544088

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
SMILESCc1nnc(N2CC=C(NOCc3ccccc3)CC2)o1
InChIInChI=1S/C15H18N4O2/c1-12-16-17-15(21-12)19-9-7-14(8-10-19)18-20-11-13-5-3-2-4-6-13/h2-7,18H,8-11H2,1H3
InChIKeyPAQYBQCSXKOTHT-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.19
Rot. Bonds5

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine

1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 123544088) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
PubChem CID123544088
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
SMILESCc1nnc(N2CC=C(NOCc3ccccc3)CC2)o1
InChIInChI=1S/C15H18N4O2/c1-12-16-17-15(21-12)19-9-7-14(8-10-19)18-20-11-13-5-3-2-4-6-13/h2-7,18H,8-11H2,1H3
InChIKeyPAQYBQCSXKOTHT-UHFFFAOYSA-N
XLogP2.19
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-Methyl-[1,3,4]oxadiazol-2-yl)-piperidin-4-one O-benzyl-oxime
CID 86656705

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine (CID 123544088) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine is Cc1nnc(N2CC=C(NOCc3ccccc3)CC2)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is PAQYBQCSXKOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-12-16-17-15(21-12)19-9-7-14(8-10-19)18-20-11-13-5-3-2-4-6-13/h2-7,18H,8-11H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine?
1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 123544088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).