(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide

C20H24N4O3 — CID 95064934

IUPAC(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide
SMILESCC[C@H](C(=O)N(CC)c1cccc(C)c1)n1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C20H24N4O3/c1-6-16(19(25)23(7-2)15-10-8-9-12(3)11-15)24-20(26)18-17(13(4)21-24)14(5)27-22-18/h8-11,16H,6-7H2,1-5H3/t16-/m1/s1
InChIKeyQRCLYEYCNVNZJD-MRXNPFEDSA-N
MW368.44 g/mol
LogP3.31
Rot. Bonds5

About (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide

(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide (PubChem CID 95064934) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide
PubChem CID95064934
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide
SMILESCC[C@H](C(=O)N(CC)c1cccc(C)c1)n1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C20H24N4O3/c1-6-16(19(25)23(7-2)15-10-8-9-12(3)11-15)24-20(26)18-17(13(4)21-24)14(5)27-22-18/h8-11,16H,6-7H2,1-5H3/t16-/m1/s1
InChIKeyQRCLYEYCNVNZJD-MRXNPFEDSA-N
XLogP3.31
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2,6-diethylphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)butanamide
CID 95064923
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 53056528
(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(4-fluorophenyl)butanamide
CID 95064912
N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide
CID 53056344
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide
CID 53056535
ethyl 5-[(2S)-1-(N-ethyl-3-methylanilino)-1-oxopropan-2-yl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 92875508
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792
N-ethyl-3-methyl-N-(3-methylphenyl)-2-sulfanylbutanamide
CID 107023755
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 4732484
N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide?
The IUPAC name of (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide (CID 95064934) is (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide is CC[C@H](C(=O)N(CC)c1cccc(C)c1)n1nc(C)c2c(C)onc2c1=O.
What is the InChIKey of (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide?
The InChIKey is QRCLYEYCNVNZJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-6-16(19(25)23(7-2)15-10-8-9-12(3)11-15)24-20(26)18-17(13(4)21-24)14(5)27-22-18/h8-11,16H,6-7H2,1-5H3/t16-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide?
(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide has a molecular weight of 368.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 95064934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).