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

C16H19NO2 — CID 175053393

IUPAC4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol
SMILESCc1noc(-c2ccc(O)cc2)c1CC1CCCC1
InChIInChI=1S/C16H19NO2/c1-11-15(10-12-4-2-3-5-12)16(19-17-11)13-6-8-14(18)9-7-13/h6-9,12,18H,2-5,10H2,1H3
InChIKeyVFHQEAGNSJERTG-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.09
Rot. Bonds3

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

4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol (PubChem CID 175053393) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol
PubChem CID175053393
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol
SMILESCc1noc(-c2ccc(O)cc2)c1CC1CCCC1
InChIInChI=1S/C16H19NO2/c1-11-15(10-12-4-2-3-5-12)16(19-17-11)13-6-8-14(18)9-7-13/h6-9,12,18H,2-5,10H2,1H3
InChIKeyVFHQEAGNSJERTG-UHFFFAOYSA-N
XLogP4.09
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine
CID 66578383
5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole
CID 175122889
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate
CID 141295959
5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole
CID 167131340
methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
CID 142610795
1-[4-[4-[3-methyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 158372225
[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 167131352
cyclohexanecarboxylic acid;2-methylbutyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
CID 142610738
1-[4-[4-[3-methyl-4-(oxiran-2-ylmethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 141296072
ethyl 1-[4-[4-[4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 147032693
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
1-[4-[4-[4-[(cyclopropylmethylamino)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578438

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol (CID 175053393) is 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol is Cc1noc(-c2ccc(O)cc2)c1CC1CCCC1.
What is the InChIKey of 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol?
The InChIKey is VFHQEAGNSJERTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-15(10-12-4-2-3-5-12)16(19-17-11)13-6-8-14(18)9-7-13/h6-9,12,18H,2-5,10H2,1H3.
What are the key properties of 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol?
4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol has a molecular weight of 257.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 175053393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).