N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C27H20F7N3O3S — CID 71612933

IUPACN-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C27H20F7N3O3S/c1-13-9-18(25(28,26(29,30)31)27(32,33)34)10-14(2)21(13)36-23(38)17-11-19(41-12-17)35-24(39)20-15(3)40-37-22(20)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,35,39)(H,36,38)
InChIKeyGNWZISRSCKOWCK-UHFFFAOYSA-N
MW599.53 g/mol
LogP8.12
Rot. Bonds6

About N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 71612933) has the molecular formula C27H20F7N3O3S and a molecular weight of 599.53 g/mol. Its IUPAC name is N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID71612933
Molecular FormulaC27H20F7N3O3S
Molecular Weight599.53 g/mol
Exact Mass599.11
IUPAC NameN-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C27H20F7N3O3S/c1-13-9-18(25(28,26(29,30)31)27(32,33)34)10-14(2)21(13)36-23(38)17-11-19(41-12-17)35-24(39)20-15(3)40-37-22(20)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,35,39)(H,36,38)
InChIKeyGNWZISRSCKOWCK-UHFFFAOYSA-N
XLogP8.12
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.53
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 71612933) is N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(NC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is GNWZISRSCKOWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F7N3O3S/c1-13-9-18(25(28,26(29,30)31)27(32,33)34)10-14(2)21(13)36-23(38)17-11-19(41-12-17)35-24(39)20-15(3)40-37-22(20)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,35,39)(H,36,38).
What are the key properties of N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 599.53 g/mol, XLogP of 8.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71612933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).