5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

C19H25N3O4S — CID 42940487

IUPAC5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C19H25N3O4S/c1-4-22(5-2)27(24,25)16-10-8-14(9-11-16)13(3)20-19(23)17-12-18(26-21-17)15-6-7-15/h8-13,15H,4-7H2,1-3H3,(H,20,23)
InChIKeyOTXFKXUTXQXWQQ-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.07
Rot. Bonds8

About 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 42940487) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID42940487
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C19H25N3O4S/c1-4-22(5-2)27(24,25)16-10-8-14(9-11-16)13(3)20-19(23)17-12-18(26-21-17)15-6-7-15/h8-13,15H,4-7H2,1-3H3,(H,20,23)
InChIKeyOTXFKXUTXQXWQQ-UHFFFAOYSA-N
XLogP3.07
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 113339620
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
5-chloro-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 39758913
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119686806

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide (CID 42940487) is 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(C3CC3)on2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OTXFKXUTXQXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-4-22(5-2)27(24,25)16-10-8-14(9-11-16)13(3)20-19(23)17-12-18(26-21-17)15-6-7-15/h8-13,15H,4-7H2,1-3H3,(H,20,23).
What are the key properties of 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42940487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).