2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide

C16H14N4O3 — CID 71975946

IUPAC2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(Oc3cccnn3)c2)o1
InChIInChI=1S/C16H14N4O3/c1-10-15(22-11(2)18-10)16(21)19-12-5-3-6-13(9-12)23-14-7-4-8-17-20-14/h3-9H,1-2H3,(H,19,21)
InChIKeyYWHHQRWKVOZZPC-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.13
Rot. Bonds4

About 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 71975946) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide
PubChem CID71975946
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(Oc3cccnn3)c2)o1
InChIInChI=1S/C16H14N4O3/c1-10-15(22-11(2)18-10)16(21)19-12-5-3-6-13(9-12)23-14-7-4-8-17-20-14/h3-9H,1-2H3,(H,19,21)
InChIKeyYWHHQRWKVOZZPC-UHFFFAOYSA-N
XLogP3.13
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
CID 119894522
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
CID 119894521
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
CID 120801133
2,4-dimethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 75375647
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
(3S)-N-(3-pyridazin-3-yloxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124607438
4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
CID 119894528
1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 99813723
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 166194550
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide (CID 71975946) is 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(Oc3cccnn3)c2)o1.
What is the InChIKey of 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is YWHHQRWKVOZZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-15(22-11(2)18-10)16(21)19-12-5-3-6-13(9-12)23-14-7-4-8-17-20-14/h3-9H,1-2H3,(H,19,21).
What are the key properties of 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71975946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).