N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C17H14Cl2N2O3 — CID 60618944

IUPACN-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H14Cl2N2O3/c1-10(7-11-4-5-12(18)8-13(11)19)20-17(22)14-9-16(24-21-14)15-3-2-6-23-15/h2-6,8-10H,7H2,1H3,(H,20,22)
InChIKeyQYTOIHLVPGXDMO-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.60
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 60618944) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID60618944
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H14Cl2N2O3/c1-10(7-11-4-5-12(18)8-13(11)19)20-17(22)14-9-16(24-21-14)15-3-2-6-23-15/h2-6,8-10H,7H2,1H3,(H,20,22)
InChIKeyQYTOIHLVPGXDMO-UHFFFAOYSA-N
XLogP4.60
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55992014
N-[5-(diethylamino)pentan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 46092683
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
5-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 61245918
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 43356526
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986
5-(furan-2-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 55990483
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61242942
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098517

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 60618944) is N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CC(Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is QYTOIHLVPGXDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-10(7-11-4-5-12(18)8-13(11)19)20-17(22)14-9-16(24-21-14)15-3-2-6-23-15/h2-6,8-10H,7H2,1H3,(H,20,22).
What are the key properties of N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 365.22 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60618944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).