cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate

C18H23NO4 — CID 135973099

IUPACcyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
SMILESO=C(CC1CC(c2ccc(O)cc2)=NO1)OCC1CCCCC1
InChIInChI=1S/C18H23NO4/c20-15-8-6-14(7-9-15)17-10-16(23-19-17)11-18(21)22-12-13-4-2-1-3-5-13/h6-9,13,16,20H,1-5,10-12H2
InChIKeyUFFFPSXGPYDVQV-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.40
Rot. Bonds5

About cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate

cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate (PubChem CID 135973099) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate.

Molecular Properties

Compound Namecyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
PubChem CID135973099
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Namecyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
SMILESO=C(CC1CC(c2ccc(O)cc2)=NO1)OCC1CCCCC1
InChIInChI=1S/C18H23NO4/c20-15-8-6-14(7-9-15)17-10-16(23-19-17)11-18(21)22-12-13-4-2-1-3-5-13/h6-9,13,16,20H,1-5,10-12H2
InChIKeyUFFFPSXGPYDVQV-UHFFFAOYSA-N
XLogP3.40
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester
CID 4633677
3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester
CID 5288525
1-[(5s)-3-(3-Fluoro-4-Hydroxyphenyl)-4,5-Dihydro-1,2-Oxazol-5-Yl]propan-2-One
CID 136494499
Neopentyl 2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate
CID 135845047
(R)-tert-butyl 2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate
CID 136102116
(2Z)-2-(hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid
CID 14389744
Aspergillusol A
CID 44605528
methyl (2E)-2-(N-hydroxyimino)-3-(4-hydroxyphenyl)propanoate
CID 71299793
(R)-1-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)-4,4-dimethylpentan-2-one
CID 136043766
(4Z)-4-(4-hydroxybenzylidene)-3-phenyl-1,2-oxazol-5(4H)-one
CID 1796231
(S)-3-(3-((E)-1-(4-Hydroxybenzyloxyimino)ethyl)phenyl)-2-ethoxypropanoicAcid
CID 25115099
Neopentyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate
CID 135845046

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate?
The IUPAC name of cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate (CID 135973099) is cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate.
What is the SMILES notation for cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate?
The canonical SMILES for cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate is O=C(CC1CC(c2ccc(O)cc2)=NO1)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate?
The InChIKey is UFFFPSXGPYDVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c20-15-8-6-14(7-9-15)17-10-16(23-19-17)11-18(21)22-12-13-4-2-1-3-5-13/h6-9,13,16,20H,1-5,10-12H2.
What are the key properties of cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate?
cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate has a molecular weight of 317.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate is sourced from PubChem (CID 135973099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).