N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C16H16N4O3 — CID 91780894

IUPACN-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccc(-c3noc(C)n3)cc2)on1
InChIInChI=1S/C16H16N4O3/c1-10-7-14(23-19-10)8-15(21)17-9-12-3-5-13(6-4-12)16-18-11(2)22-20-16/h3-7H,8-9H2,1-2H3,(H,17,21)
InChIKeyUBLZBMBHDSSIEC-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.20
Rot. Bonds5

About N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 91780894) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID91780894
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccc(-c3noc(C)n3)cc2)on1
InChIInChI=1S/C16H16N4O3/c1-10-7-14(23-19-10)8-15(21)17-9-12-3-5-13(6-4-12)16-18-11(2)22-20-16/h3-7H,8-9H2,1-2H3,(H,17,21)
InChIKeyUBLZBMBHDSSIEC-UHFFFAOYSA-N
XLogP2.20
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877601
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91760353
1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 166265848
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877565
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 100759222
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778268
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 90647929
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31544496
2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
CID 50969409

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 91780894) is N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)NCc2ccc(-c3noc(C)n3)cc2)on1.
What is the InChIKey of N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is UBLZBMBHDSSIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-7-14(23-19-10)8-15(21)17-9-12-3-5-13(6-4-12)16-18-11(2)22-20-16/h3-7H,8-9H2,1-2H3,(H,17,21).
What are the key properties of N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 91780894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).