N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide

C19H20N4O3S — CID 110215343

IUPACN-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1cc(-c2cc(=O)n(C(C)C(=O)NC3CC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C19H20N4O3S/c1-10-8-15(26-22-10)14-9-17(24)23(12(3)19(25)20-13-5-6-13)21-18(14)16-7-4-11(2)27-16/h4,7-9,12-13H,5-6H2,1-3H3,(H,20,25)
InChIKeyUEOYWXWFYJNBJX-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.08
Rot. Bonds5

About N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide

N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 110215343) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID110215343
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1cc(-c2cc(=O)n(C(C)C(=O)NC3CC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C19H20N4O3S/c1-10-8-15(26-22-10)14-9-17(24)23(12(3)19(25)20-13-5-6-13)21-18(14)16-7-4-11(2)27-16/h4,7-9,12-13H,5-6H2,1-3H3,(H,20,25)
InChIKeyUEOYWXWFYJNBJX-UHFFFAOYSA-N
XLogP3.08
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide
CID 16673423
N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 95799658
N-[(3-propylisoxazol-5-yl)methyl]-1-(2-thienylcarbonyl)piperidin-4-amine
CID 131912263
2-Dimethylamino-N-{(S)-1-[5-(4-methyl-5-trifluoromethyl-isoxazol-3-yl)-thiophene-2-carbonyl]-piperidin-3-yl}-acetamide
CID 25211713
2-(dimethylamino)-N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide
CID 68565278
N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18163928
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471360
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 46960501
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide
CID 51498221
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide
CID 51498223
N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 92417690
2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 92417696

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide (CID 110215343) is N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide is Cc1cc(-c2cc(=O)n(C(C)C(=O)NC3CC3)nc2-c2ccc(C)s2)on1.
What is the InChIKey of N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is UEOYWXWFYJNBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-10-8-15(26-22-10)14-9-17(24)23(12(3)19(25)20-13-5-6-13)21-18(14)16-7-4-11(2)27-16/h4,7-9,12-13H,5-6H2,1-3H3,(H,20,25).
What are the key properties of N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 384.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 110215343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).