N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

C18H12FN3O2S — CID 97361875

IUPACN-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)Nc4cccc(F)c4)cc23)cs1
InChIInChI=1S/C18H12FN3O2S/c1-10-20-15(9-25-10)17-14-7-11(5-6-16(14)24-22-17)18(23)21-13-4-2-3-12(19)8-13/h2-9H,1H3,(H,21,23)
InChIKeyZKDJCDVXZWTANR-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.65
Rot. Bonds3

About N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97361875) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97361875
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC NameN-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)Nc4cccc(F)c4)cc23)cs1
InChIInChI=1S/C18H12FN3O2S/c1-10-20-15(9-25-10)17-14-7-11(5-6-16(14)24-22-17)18(23)21-13-4-2-3-12(19)8-13/h2-9H,1H3,(H,21,23)
InChIKeyZKDJCDVXZWTANR-UHFFFAOYSA-N
XLogP4.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-tert-butylphenyl)-1,3-thiazole-5-carboxamide
CID 23644834
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446424
2-(benzo[d]isoxazol-3-yl)-N-(2-(3-(2,4-dimethylthiazol-5-yl)-6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 49678191
2-(benzo[d]isoxazol-3-yl)-N-(3-(2-phenylthiazol-4-yl)phenyl)acetamide
CID 45505445
2-(benzo[d]isoxazol-3-yl)-N-((4-methyl-2-(thiophen-2-yl)thiazol-5-yl)methyl)acetamide
CID 71795386
N-(2-(2-methylthiazol-4-yl)phenyl)-3-phenylbenzo[c]isoxazole-5-carboxamide
CID 73168682
2-(benzo[d]isoxazol-3-yl)-N-(2-methylbenzo[d]thiazol-6-yl)acetamide
CID 8927486
3-[2-[4-Propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-amine
CID 21928209
N-[3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-yl]acetamide
CID 21928222
5-Methyl-3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-amine
CID 21928225
N-[5-methyl-3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-yl]acetamide
CID 21928233
(2S)-N-[(1S)-2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 57775576

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97361875) is N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is Cc1nc(-c2noc3ccc(C(=O)Nc4cccc(F)c4)cc23)cs1.
What is the InChIKey of N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is ZKDJCDVXZWTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c1-10-20-15(9-25-10)17-14-7-11(5-6-16(14)24-22-17)18(23)21-13-4-2-3-12(19)8-13/h2-9H,1H3,(H,21,23).
What are the key properties of N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97361875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).