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

C19H22N4O3 — CID 95990682

IUPAC3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide
SMILESCc1nn(CCC(=O)NC[C@H](C)c2ccccc2)c(=O)c2noc(C)c12
InChIInChI=1S/C19H22N4O3/c1-12(15-7-5-4-6-8-15)11-20-16(24)9-10-23-19(25)18-17(13(2)21-23)14(3)26-22-18/h4-8,12H,9-11H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeySKMMXABJWWDWJY-LBPRGKRZSA-N
MW354.41 g/mol
LogP2.31
Rot. Bonds6

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

3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide (PubChem CID 95990682) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide
PubChem CID95990682
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide
SMILESCc1nn(CCC(=O)NC[C@H](C)c2ccccc2)c(=O)c2noc(C)c12
InChIInChI=1S/C19H22N4O3/c1-12(15-7-5-4-6-8-15)11-20-16(24)9-10-23-19(25)18-17(13(2)21-23)14(3)26-22-18/h4-8,12H,9-11H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeySKMMXABJWWDWJY-LBPRGKRZSA-N
XLogP2.31
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide
CID 71686501
N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
CID 71686500
4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(2-phenylpropyl)butanamide
CID 22514290
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)butanamide
CID 71686549
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 53056326
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
CID 71686527
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
6-[(2S)-2-hydroxy-4-phenylbutyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 99777563
3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide
CID 46279408

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide (CID 95990682) is 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide is Cc1nn(CCC(=O)NC[C@H](C)c2ccccc2)c(=O)c2noc(C)c12.
What is the InChIKey of 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The InChIKey is SKMMXABJWWDWJY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(15-7-5-4-6-8-15)11-20-16(24)9-10-23-19(25)18-17(13(2)21-23)14(3)26-22-18/h4-8,12H,9-11H2,1-3H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide?
3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide is sourced from PubChem (CID 95990682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).