2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol

C15H14ClN3O2 — CID 141296759

IUPAC2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol
SMILESCc1noc(C)c1-c1cn(C)nc1-c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c1-8-14(9(2)21-18-8)11-7-19(3)17-15(11)10-4-5-13(20)12(16)6-10/h4-7,20H,1-3H3
InChIKeyUXGYLYNNOAMOTL-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.72
Rot. Bonds2

About 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol

2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol (PubChem CID 141296759) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol
PubChem CID141296759
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol
SMILESCc1noc(C)c1-c1cn(C)nc1-c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c1-8-14(9(2)21-18-8)11-7-19(3)17-15(11)10-4-5-13(20)12(16)6-10/h4-7,20H,1-3H3
InChIKeyUXGYLYNNOAMOTL-UHFFFAOYSA-N
XLogP3.72
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol
CID 136970221
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol
CID 172557262
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N'-hydroxy-1-methylpyrrole-2-carboximidamide
CID 87275151
2-chloro-4-(3-methyl-2-pyridinyl)phenol
CID 137043829
2-chloro-4-(4-chloro-3-methylphenyl)phenol
CID 53221359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol?
The IUPAC name of 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol (CID 141296759) is 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol.
What is the SMILES notation for 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol?
The canonical SMILES for 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol is Cc1noc(C)c1-c1cn(C)nc1-c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol?
The InChIKey is UXGYLYNNOAMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-8-14(9(2)21-18-8)11-7-19(3)17-15(11)10-4-5-13(20)12(16)6-10/h4-7,20H,1-3H3.
What are the key properties of 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol?
2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol has a molecular weight of 303.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]phenol is sourced from PubChem (CID 141296759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).