N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C20H24N4O2S — CID 38911649

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCCC(CC)c1nnc(NC(=O)CCCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C20H24N4O2S/c1-3-14(4-2)19-23-24-20(27-19)22-17(25)11-8-12-18-21-13-16(26-18)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,22,24,25)
InChIKeyPLZXQRBQKXUIDT-UHFFFAOYSA-N
MW384.51 g/mol
LogP5.06
Rot. Bonds9

About N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 38911649) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID38911649
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCCC(CC)c1nnc(NC(=O)CCCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C20H24N4O2S/c1-3-14(4-2)19-23-24-20(27-19)22-17(25)11-8-12-18-21-13-16(26-18)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,22,24,25)
InChIKeyPLZXQRBQKXUIDT-UHFFFAOYSA-N
XLogP5.06
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide 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-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 16551275
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24596759
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340
N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55686875
4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19197187
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide
CID 55894851
N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 86986097

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 38911649) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is CCC(CC)c1nnc(NC(=O)CCCc2ncc(-c3ccccc3)o2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is PLZXQRBQKXUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-3-14(4-2)19-23-24-20(27-19)22-17(25)11-8-12-18-21-13-16(26-18)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,22,24,25).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 384.51 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 38911649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).