5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide

C19H18ClN5O4S — CID 24665740

IUPAC5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H18ClN5O4S/c1-11-16(30-19(21-11)25-6-8-28-9-7-25)18(27)23-22-17(26)14-10-15(29-24-14)12-2-4-13(20)5-3-12/h2-5,10H,6-9H2,1H3,(H,22,26)(H,23,27)
InChIKeyFMAWQIGYYCVGQJ-UHFFFAOYSA-N
MW447.90 g/mol
LogP2.67
Rot. Bonds4

About 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide

5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 24665740) has the molecular formula C19H18ClN5O4S and a molecular weight of 447.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide
PubChem CID24665740
Molecular FormulaC19H18ClN5O4S
Molecular Weight447.90 g/mol
Exact Mass447.08
IUPAC Name5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H18ClN5O4S/c1-11-16(30-19(21-11)25-6-8-28-9-7-25)18(27)23-22-17(26)14-10-15(29-24-14)12-2-4-13(20)5-3-12/h2-5,10H,6-9H2,1H3,(H,22,26)(H,23,27)
InChIKeyFMAWQIGYYCVGQJ-UHFFFAOYSA-N
XLogP2.67
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24553616
N'-[5-(4-fluorophenyl)furan-2-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 26919839
2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 25447062
N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 60566615
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
N'-(3-chloro-4-methyl-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 30689371
4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide
CID 26950922

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide (CID 24665740) is 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is FMAWQIGYYCVGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S/c1-11-16(30-19(21-11)25-6-8-28-9-7-25)18(27)23-22-17(26)14-10-15(29-24-14)12-2-4-13(20)5-3-12/h2-5,10H,6-9H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide?
5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 447.90 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 24665740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).