2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one

C20H23N5O3 — CID 72849130

IUPAC2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)c1nc2cc(C(=O)N3CCN(c4cnn(C)c(=O)c4)CC3)ccc2o1
InChIInChI=1S/C20H23N5O3/c1-13(2)19-22-16-10-14(4-5-17(16)28-19)20(27)25-8-6-24(7-9-25)15-11-18(26)23(3)21-12-15/h4-5,10-13H,6-9H2,1-3H3
InChIKeyMQHWOZMJYZQGIV-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.01
Rot. Bonds3

About 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 72849130) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one
PubChem CID72849130
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)c1nc2cc(C(=O)N3CCN(c4cnn(C)c(=O)c4)CC3)ccc2o1
InChIInChI=1S/C20H23N5O3/c1-13(2)19-22-16-10-14(4-5-17(16)28-19)20(27)25-8-6-24(7-9-25)15-11-18(26)23(3)21-12-15/h4-5,10-13H,6-9H2,1-3H3
InChIKeyMQHWOZMJYZQGIV-UHFFFAOYSA-N
XLogP2.01
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387944
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 25479683
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 97270049
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid
CID 117099421
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
3-[4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814717
4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbaldehyde
CID 110387912
2-ethyl-1-[4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110399491
[(3S)-3-(2-methylphenyl)piperidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 25384156
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
CID 28909109
5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91776530

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one (CID 72849130) is 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one is CC(C)c1nc2cc(C(=O)N3CCN(c4cnn(C)c(=O)c4)CC3)ccc2o1.
What is the InChIKey of 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is MQHWOZMJYZQGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13(2)19-22-16-10-14(4-5-17(16)28-19)20(27)25-8-6-24(7-9-25)15-11-18(26)23(3)21-12-15/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 381.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 72849130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).