N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

C22H16FN3O2S — CID 32869556

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C22H16FN3O2S/c23-17-8-4-3-7-16(17)19-11-24-21(28-19)15-6-2-1-5-14(15)20(27)26-22-25-18(12-29-22)13-9-10-13/h1-8,11-13H,9-10H2,(H,25,26,27)
InChIKeyHDDCUCRRBATEOU-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.73
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 32869556) has the molecular formula C22H16FN3O2S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID32869556
Molecular FormulaC22H16FN3O2S
Molecular Weight405.45 g/mol
Exact Mass405.09
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C22H16FN3O2S/c23-17-8-4-3-7-16(17)19-11-24-21(28-19)15-6-2-1-5-14(15)20(27)26-22-25-18(12-29-22)13-9-10-13/h1-8,11-13H,9-10H2,(H,25,26,27)
InChIKeyHDDCUCRRBATEOU-UHFFFAOYSA-N
XLogP5.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzo[d]thiazol-2-yl)-5-(4-fluorophenyl)oxazole-2-carboxamide
CID 16950269
1-[[2-(Methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71857856
N-(4,5-dimethylthiazol-2-yl)-5-(4-fluorophenyl)oxazole-2-carboxamide
CID 76145342
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1203697
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41767585
5-phenyl-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)oxazole-2-carboxamide
CID 76145304
5-phenyl-N-((2-phenylthiazol-4-yl)methyl)oxazole-2-carboxamide
CID 76145312
3-(1,3-benzoxazol-2-yl)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 8106880
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590472
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 16593115
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (CID 32869556) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is O=C(Nc1nc(C2CC2)cs1)c1ccccc1-c1ncc(-c2ccccc2F)o1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is HDDCUCRRBATEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2S/c23-17-8-4-3-7-16(17)19-11-24-21(28-19)15-6-2-1-5-14(15)20(27)26-22-25-18(12-29-22)13-9-10-13/h1-8,11-13H,9-10H2,(H,25,26,27).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 32869556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).