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

C14H16N2O4 — CID 174638480

IUPACmethyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
SMILESCCCOc1ccc(-c2cc(NC(=O)OC)on2)cc1
InChIInChI=1S/C14H16N2O4/c1-3-8-19-11-6-4-10(5-7-11)12-9-13(20-16-12)15-14(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKeyIBDUUZXLWFVMHO-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.31
Rot. Bonds5

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

methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate (PubChem CID 174638480) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
PubChem CID174638480
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
SMILESCCCOc1ccc(-c2cc(NC(=O)OC)on2)cc1
InChIInChI=1S/C14H16N2O4/c1-3-8-19-11-6-4-10(5-7-11)12-9-13(20-16-12)15-14(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKeyIBDUUZXLWFVMHO-UHFFFAOYSA-N
XLogP3.31
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692
methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate
CID 150963171
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide
CID 35344022
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
CID 17014685
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
(4-decoxyphenyl) 3-(4-decoxyphenyl)-1,2-oxazole-5-carboxylate
CID 102279891
[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892869
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 56530016

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate?
The IUPAC name of methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate (CID 174638480) is methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate.
What is the SMILES notation for methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate?
The canonical SMILES for methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate is CCCOc1ccc(-c2cc(NC(=O)OC)on2)cc1.
What is the InChIKey of methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate?
The InChIKey is IBDUUZXLWFVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-8-19-11-6-4-10(5-7-11)12-9-13(20-16-12)15-14(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,17).
What are the key properties of methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate?
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate has a molecular weight of 276.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate is sourced from PubChem (CID 174638480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).