N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

C16H21N5O4S — CID 131911965

IUPACN-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1cc(-c2ccn[nH]2)oc1C
InChIInChI=1S/C16H21N5O4S/c1-5-21(9-15-18-16(10(2)3)20-25-15)26(22,23)14-8-13(24-11(14)4)12-6-7-17-19-12/h6-8,10H,5,9H2,1-4H3,(H,17,19)
InChIKeyKHXLOMXZVINLOB-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.70
Rot. Bonds7

About N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 131911965) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID131911965
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC NameN-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1cc(-c2ccn[nH]2)oc1C
InChIInChI=1S/C16H21N5O4S/c1-5-21(9-15-18-16(10(2)3)20-25-15)26(22,23)14-8-13(24-11(14)4)12-6-7-17-19-12/h6-8,10H,5,9H2,1-4H3,(H,17,19)
InChIKeyKHXLOMXZVINLOB-UHFFFAOYSA-N
XLogP2.70
TPSA118.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292588
N-(3,4-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163395
N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163434
N-(5-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163402
3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069276
N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163430
N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 100609124
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163425
N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163440
N-(3-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163413
N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 131893636
N-ethyl-2-methoxy-N-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)benzenesulfonamide
CID 171909595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 131911965) is N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1cc(-c2ccn[nH]2)oc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is KHXLOMXZVINLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-5-21(9-15-18-16(10(2)3)20-25-15)26(22,23)14-8-13(24-11(14)4)12-6-7-17-19-12/h6-8,10H,5,9H2,1-4H3,(H,17,19).
What are the key properties of N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 379.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 131911965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).