methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate

C13H14N2O4 — CID 142610795

IUPACmethyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
SMILESCOC(=O)NCc1c(C)noc1-c1ccc(O)cc1
InChIInChI=1S/C13H14N2O4/c1-8-11(7-14-13(17)18-2)12(19-15-8)9-3-5-10(16)6-4-9/h3-6,16H,7H2,1-2H3,(H,14,17)
InChIKeyHIJDURPWXMDTHM-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.21
Rot. Bonds3

About methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate

methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate (PubChem CID 142610795) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
PubChem CID142610795
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
SMILESCOC(=O)NCc1c(C)noc1-c1ccc(O)cc1
InChIInChI=1S/C13H14N2O4/c1-8-11(7-14-13(17)18-2)12(19-15-8)9-3-5-10(16)6-4-9/h3-6,16H,7H2,1-2H3,(H,14,17)
InChIKeyHIJDURPWXMDTHM-UHFFFAOYSA-N
XLogP2.21
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexanecarboxylic acid;2-methylbutyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
CID 142610738
2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 141296063
4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 175053393
[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate
CID 162350991
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate
CID 141295959
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68885549
1-[4-[4-[4-[(cyclopropylmethylamino)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578438
1-[4-[4-[3-methyl-4-[(2-phenoxypropanoylamino)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578030
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine
CID 66578383
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate?
The IUPAC name of methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate (CID 142610795) is methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate is COC(=O)NCc1c(C)noc1-c1ccc(O)cc1.
What is the InChIKey of methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate?
The InChIKey is HIJDURPWXMDTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-11(7-14-13(17)18-2)12(19-15-8)9-3-5-10(16)6-4-9/h3-6,16H,7H2,1-2H3,(H,14,17).
What are the key properties of methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate?
methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate has a molecular weight of 262.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate is sourced from PubChem (CID 142610795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).