(5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H15ClN4O3S — CID 93242367

IUPAC(5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@H](C(=O)Nc2nnc(CCOc3ccccc3Cl)s2)C1
InChIInChI=1S/C15H15ClN4O3S/c1-9-8-12(23-20-9)14(21)17-15-19-18-13(24-15)6-7-22-11-5-3-2-4-10(11)16/h2-5,12H,6-8H2,1H3,(H,17,19,21)/t12-/m0/s1
InChIKeyHLKATLQFXZEDKI-LBPRGKRZSA-N
MW366.83 g/mol
LogP2.92
Rot. Bonds6

About (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 93242367) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID93242367
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC Name(5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@H](C(=O)Nc2nnc(CCOc3ccccc3Cl)s2)C1
InChIInChI=1S/C15H15ClN4O3S/c1-9-8-12(23-20-9)14(21)17-15-19-18-13(24-15)6-7-22-11-5-3-2-4-10(11)16/h2-5,12H,6-8H2,1H3,(H,17,19,21)/t12-/m0/s1
InChIKeyHLKATLQFXZEDKI-LBPRGKRZSA-N
XLogP2.92
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 46978078
N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide;hydrochloride
CID 68768174
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107642750
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 17193580
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230111
2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82424014
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 17193357
(3S)-1-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-3-carboxamide
CID 30588046
1-[(4-fluorophenyl)methyl]-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 42655677
N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946201
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 71946146

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 93242367) is (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1=NO[C@H](C(=O)Nc2nnc(CCOc3ccccc3Cl)s2)C1.
What is the InChIKey of (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HLKATLQFXZEDKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c1-9-8-12(23-20-9)14(21)17-15-19-18-13(24-15)6-7-22-11-5-3-2-4-10(11)16/h2-5,12H,6-8H2,1H3,(H,17,19,21)/t12-/m0/s1.
What are the key properties of (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 366.83 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 93242367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).