3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide

C22H17F2N3O2S — CID 16593115

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
SMILESCc1csc(N(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccc2)n1
InChIInChI=1S/C22H17F2N3O2S/c1-14-13-30-22(26-14)27(16-5-3-2-4-6-16)21(28)10-9-20-25-12-19(29-20)17-8-7-15(23)11-18(17)24/h2-8,11-13H,9-10H2,1H3
InChIKeyBYXIYBKPOLQSQI-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.68
Rot. Bonds6

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide (PubChem CID 16593115) has the molecular formula C22H17F2N3O2S and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
PubChem CID16593115
Molecular FormulaC22H17F2N3O2S
Molecular Weight425.46 g/mol
Exact Mass425.10
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
SMILESCc1csc(N(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccc2)n1
InChIInChI=1S/C22H17F2N3O2S/c1-14-13-30-22(26-14)27(16-5-3-2-4-6-16)21(28)10-9-20-25-12-19(29-20)17-8-7-15(23)11-18(17)24/h2-8,11-13H,9-10H2,1H3
InChIKeyBYXIYBKPOLQSQI-UHFFFAOYSA-N
XLogP5.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-Methyl-oxazol-5-yl)-phenyl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine
CID 44193858
4-{5-[3-(Thiazol-2-ylamino)-phenyl]oxazol-2-yl}-4,7-diaza-spiro[2.5]octan-8-one
CID 118395016
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
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41767585
Ethyl 2-(5-phenyloxazole-2-carboxamido)thiazole-4-carboxylate
CID 76145300
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-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593748

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide (CID 16593115) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide is Cc1csc(N(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccc2)n1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide?
The InChIKey is BYXIYBKPOLQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2S/c1-14-13-30-22(26-14)27(16-5-3-2-4-6-16)21(28)10-9-20-25-12-19(29-20)17-8-7-15(23)11-18(17)24/h2-8,11-13H,9-10H2,1H3.
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide has a molecular weight of 425.46 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 16593115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).