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

C14H18N4O2 — CID 75498253

IUPACN-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2nnc(C(C)C)o2)cc1
InChIInChI=1S/C14H18N4O2/c1-9(2)13-17-18-14(20-13)15-8-11-4-6-12(7-5-11)16-10(3)19/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWIZXJXQFBRXBQS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.76
Rot. Bonds5

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

N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide (PubChem CID 75498253) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide
PubChem CID75498253
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2nnc(C(C)C)o2)cc1
InChIInChI=1S/C14H18N4O2/c1-9(2)13-17-18-14(20-13)15-8-11-4-6-12(7-5-11)16-10(3)19/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWIZXJXQFBRXBQS-UHFFFAOYSA-N
XLogP2.76
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide (CID 75498253) is N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2nnc(C(C)C)o2)cc1.
What is the InChIKey of N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide?
The InChIKey is WIZXJXQFBRXBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)13-17-18-14(20-13)15-8-11-4-6-12(7-5-11)16-10(3)19/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide?
N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 75498253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).