5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole

C14H15ClN4OS — CID 122144430

IUPAC5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2csc(CC(C)n3cc(Cl)cn3)n2)o1
InChIInChI=1S/C14H15ClN4OS/c1-8(19-6-11(15)5-16-19)4-13-18-12(7-21-13)14-9(2)17-10(3)20-14/h5-8H,4H2,1-3H3
InChIKeyDLVQXQLGGNRIBF-UHFFFAOYSA-N
MW322.82 g/mol
LogP4.07
Rot. Bonds4

About 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole

5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole (PubChem CID 122144430) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
PubChem CID122144430
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2csc(CC(C)n3cc(Cl)cn3)n2)o1
InChIInChI=1S/C14H15ClN4OS/c1-8(19-6-11(15)5-16-19)4-13-18-12(7-21-13)14-9(2)17-10(3)20-14/h5-8H,4H2,1-3H3
InChIKeyDLVQXQLGGNRIBF-UHFFFAOYSA-N
XLogP4.07
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole with MolForge

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Related Compounds

4-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]benzene-1,2-diol
CID 47091107
2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 29091666
5-[2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
CID 91644735
5-[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
CID 126813162
5-[2-[[5-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole;hydrochloride
CID 160926995
ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate
CID 64705267
ethyl 2-amino-3-(4-chloropyrazol-1-yl)butanoate
CID 165485934
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
3-(4-chloropyrazol-1-yl)butan-2-one
CID 61036179
3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81018676
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
1-(4-chloropyrazol-1-yl)-1-(4-methylphenyl)butan-2-amine
CID 55015259

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole (CID 122144430) is 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(-c2csc(CC(C)n3cc(Cl)cn3)n2)o1.
What is the InChIKey of 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is DLVQXQLGGNRIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-8(19-6-11(15)5-16-19)4-13-18-12(7-21-13)14-9(2)17-10(3)20-14/h5-8H,4H2,1-3H3.
What are the key properties of 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 322.82 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 122144430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).