azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone

C16H18N2O3 — CID 135573124

IUPACazepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccc(O)cc2)on1)N1CCCCCC1
InChIInChI=1S/C16H18N2O3/c19-13-7-5-12(6-8-13)15-11-14(17-21-15)16(20)18-9-3-1-2-4-10-18/h5-8,11,19H,1-4,9-10H2
InChIKeySQJHYMJAHNXYAM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.06
Rot. Bonds2

About azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone

azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 135573124) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID135573124
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameazepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccc(O)cc2)on1)N1CCCCCC1
InChIInChI=1S/C16H18N2O3/c19-13-7-5-12(6-8-13)15-11-14(17-21-15)16(20)18-9-3-1-2-4-10-18/h5-8,11,19H,1-4,9-10H2
InChIKeySQJHYMJAHNXYAM-UHFFFAOYSA-N
XLogP3.06
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
CID 166309978
azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 46087244
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90510455
1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92758389

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone (CID 135573124) is azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2ccc(O)cc2)on1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is SQJHYMJAHNXYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-13-7-5-12(6-8-13)15-11-14(17-21-15)16(20)18-9-3-1-2-4-10-18/h5-8,11,19H,1-4,9-10H2.
What are the key properties of azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone?
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 286.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 135573124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).