[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride

C14H20ClN5O2 — CID 119470340

IUPAC[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H19N5O2.ClH/c1-9-6-15-4-5-19(9)14(20)12-10(2)21-13(17-12)11-7-16-18(3)8-11;/h7-9,15H,4-6H2,1-3H3;1H
InChIKeyOCVULKGSLUIXKC-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.24
Rot. Bonds2

About [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride

[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119470340) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119470340
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H19N5O2.ClH/c1-9-6-15-4-5-19(9)14(20)12-10(2)21-13(17-12)11-7-16-18(3)8-11;/h7-9,15H,4-6H2,1-3H3;1H
InChIKeyOCVULKGSLUIXKC-UHFFFAOYSA-N
XLogP1.24
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119449966
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124614105
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 120818131
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
CID 126782330
3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120578685
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
2-(1-methylpyrazol-4-yl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953946
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 136546980
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119472173
(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 138992941
[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 139011742

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119470340) is [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride is Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCNCC1C.Cl.
What is the InChIKey of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is OCVULKGSLUIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c1-9-6-15-4-5-19(9)14(20)12-10(2)21-13(17-12)11-7-16-18(3)8-11;/h7-9,15H,4-6H2,1-3H3;1H.
What are the key properties of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119470340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).