N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide

C21H16ClF2N3O3 — CID 71012150

IUPACN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide
SMILESCC1N=COC1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H16ClF2N3O3/c1-11-20(30-10-25-11)21(29)27(14-4-2-3-13(22)8-14)9-12-7-17(28)26-19-15(12)5-6-16(23)18(19)24/h2-8,10-11,20H,9H2,1H3,(H,26,28)
InChIKeyBHLZHHRLZYUIRE-UHFFFAOYSA-N
MW431.83 g/mol
LogP3.81
Rot. Bonds4

About N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide

N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide (PubChem CID 71012150) has the molecular formula C21H16ClF2N3O3 and a molecular weight of 431.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide
PubChem CID71012150
Molecular FormulaC21H16ClF2N3O3
Molecular Weight431.83 g/mol
Exact Mass431.08
IUPAC NameN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide
SMILESCC1N=COC1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H16ClF2N3O3/c1-11-20(30-10-25-11)21(29)27(14-4-2-3-13(22)8-14)9-12-7-17(28)26-19-15(12)5-6-16(23)18(19)24/h2-8,10-11,20H,9H2,1H3,(H,26,28)
InChIKeyBHLZHHRLZYUIRE-UHFFFAOYSA-N
XLogP3.81
TPSA74.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide (CID 71012150) is N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide is CC1N=COC1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide?
The InChIKey is BHLZHHRLZYUIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N3O3/c1-11-20(30-10-25-11)21(29)27(14-4-2-3-13(22)8-14)9-12-7-17(28)26-19-15(12)5-6-16(23)18(19)24/h2-8,10-11,20H,9H2,1H3,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide?
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide has a molecular weight of 431.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71012150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).