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

C14H16N2O4 — CID 46892868

IUPAC[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
SMILESCCCOc1ccc(-c2cc(COC(N)=O)on2)cc1
InChIInChI=1S/C14H16N2O4/c1-2-7-18-11-5-3-10(4-6-11)13-8-12(20-16-13)9-19-14(15)17/h3-6,8H,2,7,9H2,1H3,(H2,15,17)
InChIKeyJOQFKJAXONLMLI-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.73
Rot. Bonds6

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

[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate (PubChem CID 46892868) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
PubChem CID46892868
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
SMILESCCCOc1ccc(-c2cc(COC(N)=O)on2)cc1
InChIInChI=1S/C14H16N2O4/c1-2-7-18-11-5-3-10(4-6-11)13-8-12(20-16-13)9-19-14(15)17/h3-6,8H,2,7,9H2,1H3,(H2,15,17)
InChIKeyJOQFKJAXONLMLI-UHFFFAOYSA-N
XLogP2.73
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.73
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-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892621
[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892622
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
CID 174638480
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole
CID 57498270
[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
CID 5200457
(4-decoxyphenyl) 3-(4-decoxyphenyl)-1,2-oxazole-5-carboxylate
CID 102279891
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692

Frequently Asked Questions

What is the IUPAC name of [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The IUPAC name of [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate (CID 46892868) is [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate.
What is the SMILES notation for [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The canonical SMILES for [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate is CCCOc1ccc(-c2cc(COC(N)=O)on2)cc1.
What is the InChIKey of [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
The InChIKey is JOQFKJAXONLMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-7-18-11-5-3-10(4-6-11)13-8-12(20-16-13)9-19-14(15)17/h3-6,8H,2,7,9H2,1H3,(H2,15,17).
What are the key properties of [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate?
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate has a molecular weight of 276.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate is sourced from PubChem (CID 46892868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).