4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

C15H23N5O2S — CID 38486973

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCCc2nc(C(C)(C)C)no2)s1
InChIInChI=1S/C15H23N5O2S/c1-9(2)12-18-19-14(23-12)16-10(21)7-6-8-11-17-13(20-22-11)15(3,4)5/h9H,6-8H2,1-5H3,(H,16,19,21)
InChIKeyFAHHEXVCXPASFV-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.30
Rot. Bonds6

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 38486973) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID38486973
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCCc2nc(C(C)(C)C)no2)s1
InChIInChI=1S/C15H23N5O2S/c1-9(2)12-18-19-14(23-12)16-10(21)7-6-8-11-17-13(20-22-11)15(3,4)5/h9H,6-8H2,1-5H3,(H,16,19,21)
InChIKeyFAHHEXVCXPASFV-UHFFFAOYSA-N
XLogP3.30
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1,3-thiazole-4-carboxylate
CID 55667243
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55669759
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999755
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 46445802
N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119567894
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
CID 55670940

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 38486973) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)c1nnc(NC(=O)CCCc2nc(C(C)(C)C)no2)s1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is FAHHEXVCXPASFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-9(2)12-18-19-14(23-12)16-10(21)7-6-8-11-17-13(20-22-11)15(3,4)5/h9H,6-8H2,1-5H3,(H,16,19,21).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 337.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 38486973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).