2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide

C14H18N4O2 — CID 106276224

IUPAC2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
SMILESCC(C)(CNCc1nnc(-c2ccccc2)o1)C(N)=O
InChIInChI=1S/C14H18N4O2/c1-14(2,13(15)19)9-16-8-11-17-18-12(20-11)10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H2,15,19)
InChIKeyWLWLPPDHKOEBCL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds6

About 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide

2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide (PubChem CID 106276224) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
PubChem CID106276224
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
SMILESCC(C)(CNCc1nnc(-c2ccccc2)o1)C(N)=O
InChIInChI=1S/C14H18N4O2/c1-14(2,13(15)19)9-16-8-11-17-18-12(20-11)10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H2,15,19)
InChIKeyWLWLPPDHKOEBCL-UHFFFAOYSA-N
XLogP1.34
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 106146530
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 63305449
N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115571323
3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115603008

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide (CID 106276224) is 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide is CC(C)(CNCc1nnc(-c2ccccc2)o1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide?
The InChIKey is WLWLPPDHKOEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,13(15)19)9-16-8-11-17-18-12(20-11)10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H2,15,19).
What are the key properties of 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide?
2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 106276224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).