N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide

C19H21N3O2S — CID 53126080

IUPACN-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2noc(-c3ccc(C(C)C)cc3)n2)s1
InChIInChI=1S/C19H21N3O2S/c1-4-17(23)20-11-15-9-10-16(25-15)18-21-19(24-22-18)14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,20,23)
InChIKeyODBZVANMZRNWKE-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.61
Rot. Bonds6

About N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide

N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide (PubChem CID 53126080) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
PubChem CID53126080
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2noc(-c3ccc(C(C)C)cc3)n2)s1
InChIInChI=1S/C19H21N3O2S/c1-4-17(23)20-11-15-9-10-16(25-15)18-21-19(24-22-18)14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,20,23)
InChIKeyODBZVANMZRNWKE-UHFFFAOYSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126019
N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126075
N-[[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126101
N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126098
N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53126049
N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 95092058
N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126197
N-[[5-(4-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287239
N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53125965
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065
N-[[5-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126007

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide (CID 53126080) is N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide is CCC(=O)NCc1ccc(-c2noc(-c3ccc(C(C)C)cc3)n2)s1.
What is the InChIKey of N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The InChIKey is ODBZVANMZRNWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-17(23)20-11-15-9-10-16(25-15)18-21-19(24-22-18)14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,20,23).
What are the key properties of N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 53126080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).