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

C15H18N2O4 — CID 46892869

IUPAC[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
SMILESCCCCOc1ccc(-c2cc(COC(N)=O)on2)cc1
InChIInChI=1S/C15H18N2O4/c1-2-3-8-19-12-6-4-11(5-7-12)14-9-13(21-17-14)10-20-15(16)18/h4-7,9H,2-3,8,10H2,1H3,(H2,16,18)
InChIKeySCWJJGSLTTWYEQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.12
Rot. Bonds7

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

[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate (PubChem CID 46892869) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
PubChem CID46892869
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
SMILESCCCCOc1ccc(-c2cc(COC(N)=O)on2)cc1
InChIInChI=1S/C15H18N2O4/c1-2-3-8-19-12-6-4-11(5-7-12)14-9-13(21-17-14)10-20-15(16)18/h4-7,9H,2-3,8,10H2,1H3,(H2,16,18)
InChIKeySCWJJGSLTTWYEQ-UHFFFAOYSA-N
XLogP3.12
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892621
5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole
CID 57498270
[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892622
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
(4-decoxyphenyl) 3-(4-decoxyphenyl)-1,2-oxazole-5-carboxylate
CID 102279891
[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
CID 5200457
5-(butoxymethyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 141299121
3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
(4-nonoxyphenyl)methyl carbamate
CID 154021041
phosphoroso 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate
CID 121382191
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
CID 174638480

Frequently Asked Questions

What is the IUPAC name of [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The IUPAC name of [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate (CID 46892869) is [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate.
What is the SMILES notation for [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The canonical SMILES for [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate is CCCCOc1ccc(-c2cc(COC(N)=O)on2)cc1.
What is the InChIKey of [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The InChIKey is SCWJJGSLTTWYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-3-8-19-12-6-4-11(5-7-12)14-9-13(21-17-14)10-20-15(16)18/h4-7,9H,2-3,8,10H2,1H3,(H2,16,18).
What are the key properties of [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate has a molecular weight of 290.32 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate is sourced from PubChem (CID 46892869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).