N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

C17H16N4O4 — CID 57422267

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C17H16N4O4/c1-10-14(11(2)25-20-10)8-21-7-13(6-18-21)19-17(22)12-3-4-15-16(5-12)24-9-23-15/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyPDPLBSHKAXBPBW-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.52
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 57422267) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID57422267
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C17H16N4O4/c1-10-14(11(2)25-20-10)8-21-7-13(6-18-21)19-17(22)12-3-4-15-16(5-12)24-9-23-15/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyPDPLBSHKAXBPBW-UHFFFAOYSA-N
XLogP2.52
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 25206166
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,5-dimethoxybenzamide
CID 57422268
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 57944907
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 57945012
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 57945017
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 57945020
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-methyl-4-nitropyrazol-3-yl)methanone
CID 1009407
5-(1,3-benzodioxol-5-yl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3237320
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3238250
5-(1,3-benzodioxol-5-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 3239067
5-(1,3-benzodioxol-5-yl)-N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 3242908

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide (CID 57422267) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is Cc1noc(C)c1Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PDPLBSHKAXBPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-14(11(2)25-20-10)8-21-7-13(6-18-21)19-17(22)12-3-4-15-16(5-12)24-9-23-15/h3-7H,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 57422267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).