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

C12H12N2O4 — CID 46892996

IUPAC[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
SMILESCOc1ccc(-c2cc(COC(N)=O)on2)cc1
InChIInChI=1S/C12H12N2O4/c1-16-9-4-2-8(3-5-9)11-6-10(18-14-11)7-17-12(13)15/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyMITIJDXKIHNGDU-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.95
Rot. Bonds4

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

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate (PubChem CID 46892996) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
PubChem CID46892996
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
SMILESCOc1ccc(-c2cc(COC(N)=O)on2)cc1
InChIInChI=1S/C12H12N2O4/c1-16-9-4-2-8(3-5-9)11-6-10(18-14-11)7-17-12(13)15/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyMITIJDXKIHNGDU-UHFFFAOYSA-N
XLogP1.95
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892869
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 159539835
[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892621
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,3-dimethoxybenzoate
CID 17482588
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16580445
[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892622
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-nitrofuran-2-carboxylate
CID 16961243
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 92817363
(3S)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 24581914
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate (CID 46892996) is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate is COc1ccc(-c2cc(COC(N)=O)on2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The InChIKey is MITIJDXKIHNGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-16-9-4-2-8(3-5-9)11-6-10(18-14-11)7-17-12(13)15/h2-6H,7H2,1H3,(H2,13,15).
What are the key properties of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate has a molecular weight of 248.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate is sourced from PubChem (CID 46892996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).