N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C21H16FN3O4 — CID 46300000

IUPACN-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C21H16FN3O4/c1-11-17(12(2)29-25-11)20(26)24-18-15-5-3-4-6-16(15)28-19(18)21(27)23-14-9-7-13(22)8-10-14/h3-10H,1-2H3,(H,23,27)(H,24,26)
InChIKeyDDMUSDLUPDHASD-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.68
Rot. Bonds4

About N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 46300000) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID46300000
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC NameN-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C21H16FN3O4/c1-11-17(12(2)29-25-11)20(26)24-18-15-5-3-4-6-16(15)28-19(18)21(27)23-14-9-7-13(22)8-10-14/h3-10H,1-2H3,(H,23,27)(H,24,26)
InChIKeyDDMUSDLUPDHASD-UHFFFAOYSA-N
XLogP4.68
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-carbonyl)-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2465499
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide
CID 142812091
3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814568
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263621
3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 10238043
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide
CID 5306646

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 46300000) is N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is DDMUSDLUPDHASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c1-11-17(12(2)29-25-11)20(26)24-18-15-5-3-4-6-16(15)28-19(18)21(27)23-14-9-7-13(22)8-10-14/h3-10H,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46300000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).