1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol

C21H18N2O2 — CID 71737151

IUPAC1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol
SMILESCc1ccc(-c2cnco2)cc1NCc1c(O)ccc2ccccc12
InChIInChI=1S/C21H18N2O2/c1-14-6-7-16(21-12-22-13-25-21)10-19(14)23-11-18-17-5-3-2-4-15(17)8-9-20(18)24/h2-10,12-13,23-24H,11H2,1H3
InChIKeyBMRSXGGHJVMMLB-UHFFFAOYSA-N
MW330.39 g/mol
LogP5.12
Rot. Bonds4

About 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol

1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol (PubChem CID 71737151) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol
PubChem CID71737151
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol
SMILESCc1ccc(-c2cnco2)cc1NCc1c(O)ccc2ccccc12
InChIInChI=1S/C21H18N2O2/c1-14-6-7-16(21-12-22-13-25-21)10-19(14)23-11-18-17-5-3-2-4-15(17)8-9-20(18)24/h2-10,12-13,23-24H,11H2,1H3
InChIKeyBMRSXGGHJVMMLB-UHFFFAOYSA-N
XLogP5.12
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}naphthalen-2-ol
CID 49799402
4-(2-Methyl-5-oxazolyl)-naphthalic acid phenylimide
CID 129783960
4-Fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 103947427
2-Fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 107685658
2-Fluoro-6-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 115951602
3-Fluoro-5-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 116448691
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]propanamide
CID 133791008
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 17415591
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide
CID 17424122
N-(4-hydroxynaphthalen-1-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24249811
N-[2-(2-methoxyphenyl)ethyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
CID 126470225
3-hydroxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]naphthalene-2-carboxamide
CID 20604821

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol (CID 71737151) is 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol is Cc1ccc(-c2cnco2)cc1NCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol?
The InChIKey is BMRSXGGHJVMMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-6-7-16(21-12-22-13-25-21)10-19(14)23-11-18-17-5-3-2-4-15(17)8-9-20(18)24/h2-10,12-13,23-24H,11H2,1H3.
What are the key properties of 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol?
1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol has a molecular weight of 330.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol is sourced from PubChem (CID 71737151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).