[5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol

C16H10Cl2N2O4 — CID 131866916

IUPAC[5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
SMILESO=[N+]([O-])c1ccccc1-c1noc(-c2cc(Cl)cc(Cl)c2)c1CO
InChIInChI=1S/C16H10Cl2N2O4/c17-10-5-9(6-11(18)7-10)16-13(8-21)15(19-24-16)12-3-1-2-4-14(12)20(22)23/h1-7,21H,8H2
InChIKeyBZQSIADIWJNFEE-UHFFFAOYSA-N
MW365.17 g/mol
LogP4.72
Rot. Bonds4

About [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol

[5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131866916) has the molecular formula C16H10Cl2N2O4 and a molecular weight of 365.17 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131866916
Molecular FormulaC16H10Cl2N2O4
Molecular Weight365.17 g/mol
Exact Mass364.00
IUPAC Name[5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
SMILESO=[N+]([O-])c1ccccc1-c1noc(-c2cc(Cl)cc(Cl)c2)c1CO
InChIInChI=1S/C16H10Cl2N2O4/c17-10-5-9(6-11(18)7-10)16-13(8-21)15(19-24-16)12-3-1-2-4-14(12)20(22)23/h1-7,21H,8H2
InChIKeyBZQSIADIWJNFEE-UHFFFAOYSA-N
XLogP4.72
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,5-dichlorophenyl)-5-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131868525
[3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867941
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[5-(3,5-dimethylphenyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131867820
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole
CID 71729141
3-(4-chlorophenyl)-5-(2-nitrophenyl)-1,2,4-oxadiazole
CID 3482072
ethyl 3,5-bis(2-nitrophenyl)-1,2-oxazole-4-carboxylate
CID 131867680
[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868413
[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol
CID 11149875
[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868139

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol (CID 131866916) is [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol is O=[N+]([O-])c1ccccc1-c1noc(-c2cc(Cl)cc(Cl)c2)c1CO.
What is the InChIKey of [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is BZQSIADIWJNFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O4/c17-10-5-9(6-11(18)7-10)16-13(8-21)15(19-24-16)12-3-1-2-4-14(12)20(22)23/h1-7,21H,8H2.
What are the key properties of [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol?
[5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 365.17 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131866916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).