N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

C22H21FN2O2S — CID 4878097

IUPACN-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(N(C(=O)C2CCCO2)c2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C22H21FN2O2S/c1-14-10-15(2)12-18(11-14)25(21(26)20-4-3-9-27-20)22-24-19(13-28-22)16-5-7-17(23)8-6-16/h5-8,10-13,20H,3-4,9H2,1-2H3
InChIKeyQXVMXCQNZQVIGB-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.41
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 4878097) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID4878097
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC NameN-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(N(C(=O)C2CCCO2)c2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C22H21FN2O2S/c1-14-10-15(2)12-18(11-14)25(21(26)20-4-3-9-27-20)22-24-19(13-28-22)16-5-7-17(23)8-6-16/h5-8,10-13,20H,3-4,9H2,1-2H3
InChIKeyQXVMXCQNZQVIGB-UHFFFAOYSA-N
XLogP5.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 4878097) is N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is Cc1cc(C)cc(N(C(=O)C2CCCO2)c2nc(-c3ccc(F)cc3)cs2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is QXVMXCQNZQVIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c1-14-10-15(2)12-18(11-14)25(21(26)20-4-3-9-27-20)22-24-19(13-28-22)16-5-7-17(23)8-6-16/h5-8,10-13,20H,3-4,9H2,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 4878097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).