4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol

C17H14ClNO3 — CID 143777991

IUPAC4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(-c2c(C)noc2-c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H14ClNO3/c1-10-16(11-3-6-13(21-2)7-4-11)17(22-19-10)14-9-12(18)5-8-15(14)20/h3-9,20H,1-2H3
InChIKeyNLMXHQSSODYOIU-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.68
Rot. Bonds3

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

4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol (PubChem CID 143777991) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
PubChem CID143777991
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(-c2c(C)noc2-c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H14ClNO3/c1-10-16(11-3-6-13(21-2)7-4-11)17(22-19-10)14-9-12(18)5-8-15(14)20/h3-9,20H,1-2H3
InChIKeyNLMXHQSSODYOIU-UHFFFAOYSA-N
XLogP4.68
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol;N-methylhydroxylamine;N-(8-oxooctyl)formamide
CID 143777990
5-methoxy-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-4-phenylphenol
CID 142932039
2,4-dichloro-6-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
CID 137193908
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
CID 854607
ethane;6-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-4-methylcyclohepta-1,3,5-triene-1,3-diol
CID 142932008
4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 135650271
4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen
CID 167674338
2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol
CID 952905
5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 143528322
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
CID 162716901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol (CID 143777991) is 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol is COc1ccc(-c2c(C)noc2-c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol?
The InChIKey is NLMXHQSSODYOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-10-16(11-3-6-13(21-2)7-4-11)17(22-19-10)14-9-12(18)5-8-15(14)20/h3-9,20H,1-2H3.
What are the key properties of 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol?
4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol has a molecular weight of 315.76 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 143777991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).