N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide

C13H25N5O2 — CID 106963591

IUPACN-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
SMILESCC(C)CNCc1nnc(NCC(=O)NC(C)(C)C)o1
InChIInChI=1S/C13H25N5O2/c1-9(2)6-14-8-11-17-18-12(20-11)15-7-10(19)16-13(3,4)5/h9,14H,6-8H2,1-5H3,(H,15,18)(H,16,19)
InChIKeyYQTGHZVQBDYTJN-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.14
Rot. Bonds7

About N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide

N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide (PubChem CID 106963591) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
PubChem CID106963591
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
SMILESCC(C)CNCc1nnc(NCC(=O)NC(C)(C)C)o1
InChIInChI=1S/C13H25N5O2/c1-9(2)6-14-8-11-17-18-12(20-11)15-7-10(19)16-13(3,4)5/h9,14H,6-8H2,1-5H3,(H,15,18)(H,16,19)
InChIKeyYQTGHZVQBDYTJN-UHFFFAOYSA-N
XLogP1.14
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 106964518
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959991
N-ethyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969289
N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 114102779
5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
N-(2-methoxyethyl)-2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964544
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
N-[(2-fluorophenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968171
N-tert-butyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964227
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide (CID 106963591) is N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide is CC(C)CNCc1nnc(NCC(=O)NC(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide?
The InChIKey is YQTGHZVQBDYTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-9(2)6-14-8-11-17-18-12(20-11)15-7-10(19)16-13(3,4)5/h9,14H,6-8H2,1-5H3,(H,15,18)(H,16,19).
What are the key properties of N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide?
N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide has a molecular weight of 283.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 106963591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).