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

C17H21N3O2 — CID 122131592

IUPAC2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESCC(C)c1noc(Cc2ccc(NC(=O)CC3CC3)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-11(2)17-19-16(22-20-17)10-13-5-7-14(8-6-13)18-15(21)9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeySHTMBFCSAYDAPL-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.52
Rot. Bonds6

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

2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (PubChem CID 122131592) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
PubChem CID122131592
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESCC(C)c1noc(Cc2ccc(NC(=O)CC3CC3)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-11(2)17-19-16(22-20-17)10-13-5-7-14(8-6-13)18-15(21)9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeySHTMBFCSAYDAPL-UHFFFAOYSA-N
XLogP3.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (CID 122131592) is 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is CC(C)c1noc(Cc2ccc(NC(=O)CC3CC3)cc2)n1.
What is the InChIKey of 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The InChIKey is SHTMBFCSAYDAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(2)17-19-16(22-20-17)10-13-5-7-14(8-6-13)18-15(21)9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 122131592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).