tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C20H31N5O3 — CID 174704864

IUPACtert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCC(C)(C)OC=O.CN(Cc1nc(-c2ccncc2)no1)CC1CCNCC1
InChIInChI=1S/C15H21N5O.C5H10O2/c1-20(10-12-2-6-16-7-3-12)11-14-18-15(19-21-14)13-4-8-17-9-5-13;1-5(2,3)7-4-6/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3;4H,1-3H3
InChIKeyNRCLSBAPDPLRCX-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.52
Rot. Bonds6

About tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 174704864) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Nametert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID174704864
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Nametert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCC(C)(C)OC=O.CN(Cc1nc(-c2ccncc2)no1)CC1CCNCC1
InChIInChI=1S/C15H21N5O.C5H10O2/c1-20(10-12-2-6-16-7-3-12)11-14-18-15(19-21-14)13-4-8-17-9-5-13;1-5(2,3)7-4-6/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3;4H,1-3H3
InChIKeyNRCLSBAPDPLRCX-UHFFFAOYSA-N
XLogP2.52
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 174704864) is tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CC(C)(C)OC=O.CN(Cc1nc(-c2ccncc2)no1)CC1CCNCC1.
What is the InChIKey of tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is NRCLSBAPDPLRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.C5H10O2/c1-20(10-12-2-6-16-7-3-12)11-14-18-15(19-21-14)13-4-8-17-9-5-13;1-5(2,3)7-4-6/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 389.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 174704864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).