N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide

C16H19N5O3S — CID 131939149

IUPACN-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2cc(-c3ccccn3)no2)cn1
InChIInChI=1S/C16H19N5O3S/c1-3-8-21-12-14(10-18-21)25(22,23)20(2)11-13-9-16(19-24-13)15-6-4-5-7-17-15/h4-7,9-10,12H,3,8,11H2,1-2H3
InChIKeyQWGPMQXQDOIDHY-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.16
Rot. Bonds7

About N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide

N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 131939149) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
PubChem CID131939149
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2cc(-c3ccccn3)no2)cn1
InChIInChI=1S/C16H19N5O3S/c1-3-8-21-12-14(10-18-21)25(22,23)20(2)11-13-9-16(19-24-13)15-6-4-5-7-17-15/h4-7,9-10,12H,3,8,11H2,1-2H3
InChIKeyQWGPMQXQDOIDHY-UHFFFAOYSA-N
XLogP2.16
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide
CID 131919733
N-(isoquinolin-5-ylmethyl)-N-methyl-1-propylpyrazole-4-sulfonamide
CID 131949499
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide
CID 29089499
N-(furan-2-ylmethyl)-N-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688068
5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 134704491
N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 131933777
N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 72863128
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
CID 91790625
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131925280
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 77084858

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide (CID 131939149) is N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)Cc2cc(-c3ccccn3)no2)cn1.
What is the InChIKey of N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is QWGPMQXQDOIDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-3-8-21-12-14(10-18-21)25(22,23)20(2)11-13-9-16(19-24-13)15-6-4-5-7-17-15/h4-7,9-10,12H,3,8,11H2,1-2H3.
What are the key properties of N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 131939149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).