[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

C17H17ClN4O3S — CID 139011742

IUPAC[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCOC(c2ccc(Cl)s2)C1
InChIInChI=1S/C17H17ClN4O3S/c1-10-15(20-16(25-10)11-7-19-21(2)8-11)17(23)22-5-6-24-12(9-22)13-3-4-14(18)26-13/h3-4,7-8,12H,5-6,9H2,1-2H3
InChIKeyNPDONMFGJGGWIW-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.31
Rot. Bonds3

About [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (PubChem CID 139011742) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
PubChem CID139011742
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCOC(c2ccc(Cl)s2)C1
InChIInChI=1S/C17H17ClN4O3S/c1-10-15(20-16(25-10)11-7-19-21(2)8-11)17(23)22-5-6-24-12(9-22)13-3-4-14(18)26-13/h3-4,7-8,12H,5-6,9H2,1-2H3
InChIKeyNPDONMFGJGGWIW-UHFFFAOYSA-N
XLogP3.31
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124614105
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
CID 126782330
(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
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 120818131
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 136546980
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470340
3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide
CID 95971094
5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119449966
[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110104959
1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124958096
2-(1-methylpyrazol-4-yl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953946
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (CID 139011742) is [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCOC(c2ccc(Cl)s2)C1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The InChIKey is NPDONMFGJGGWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-10-15(20-16(25-10)11-7-19-21(2)8-11)17(23)22-5-6-24-12(9-22)13-3-4-14(18)26-13/h3-4,7-8,12H,5-6,9H2,1-2H3.
What are the key properties of [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone has a molecular weight of 392.87 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 139011742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).