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

C21H18FN3O3S — CID 43049640

IUPACN-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H18FN3O3S/c22-15-8-6-13(7-9-15)17-12-29-21(24-17)25-19(26)14-3-1-4-16(11-14)23-20(27)18-5-2-10-28-18/h1,3-4,6-9,11-12,18H,2,5,10H2,(H,23,27)(H,24,25,26)
InChIKeyAZVAMMOOPVPKGG-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.32
Rot. Bonds5

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

N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 43049640) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID43049640
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC NameN-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H18FN3O3S/c22-15-8-6-13(7-9-15)17-12-29-21(24-17)25-19(26)14-3-1-4-16(11-14)23-20(27)18-5-2-10-28-18/h1,3-4,6-9,11-12,18H,2,5,10H2,(H,23,27)(H,24,25,26)
InChIKeyAZVAMMOOPVPKGG-UHFFFAOYSA-N
XLogP4.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42944410
(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
3-(cyclopropanecarbonylamino)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 134049851
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826
N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43050113
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 41364782
N-[3-[(3-chloro-2-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049754

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 43049640) is N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is AZVAMMOOPVPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c22-15-8-6-13(7-9-15)17-12-29-21(24-17)25-19(26)14-3-1-4-16(11-14)23-20(27)18-5-2-10-28-18/h1,3-4,6-9,11-12,18H,2,5,10H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43049640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).