5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C14H21N5O — CID 106969217

IUPAC5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccccn1)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C14H21N5O/c1-14(2,3)16-9-12-17-18-13(20-12)19(4)10-11-7-5-6-8-15-11/h5-8,16H,9-10H2,1-4H3
InChIKeyKVZXKXMBOYQUKT-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.99
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969217) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969217
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccccn1)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C14H21N5O/c1-14(2,3)16-9-12-17-18-13(20-12)19(4)10-11-7-5-6-8-15-11/h5-8,16H,9-10H2,1-4H3
InChIKeyKVZXKXMBOYQUKT-UHFFFAOYSA-N
XLogP1.99
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963085
N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969218
5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959317
N-[(2-bromophenyl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970749
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960172
6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 62283614
5-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970975
N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106959491
5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961668
N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966869
5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969811

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106969217) is 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CN(Cc1ccccn1)c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KVZXKXMBOYQUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)16-9-12-17-18-13(20-12)19(4)10-11-7-5-6-8-15-11/h5-8,16H,9-10H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 275.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).