1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate

C14H16N2O3 — CID 12920336

IUPAC1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)c2cc(C)no2)c1
InChIInChI=1S/C14H16N2O3/c1-9-5-4-6-12(7-9)15-14(17)18-11(3)13-8-10(2)16-19-13/h4-8,11H,1-3H3,(H,15,17)
InChIKeyKPIIACUXPQCLSN-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.60
Rot. Bonds3

About 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate

1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate (PubChem CID 12920336) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate
PubChem CID12920336
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)c2cc(C)no2)c1
InChIInChI=1S/C14H16N2O3/c1-9-5-4-6-12(7-9)15-14(17)18-11(3)13-8-10(2)16-19-13/h4-8,11H,1-3H3,(H,15,17)
InChIKeyKPIIACUXPQCLSN-UHFFFAOYSA-N
XLogP3.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate (CID 12920336) is 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OC(C)c2cc(C)no2)c1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate?
The InChIKey is KPIIACUXPQCLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-5-4-6-12(7-9)15-14(17)18-11(3)13-8-10(2)16-19-13/h4-8,11H,1-3H3,(H,15,17).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate?
1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate has a molecular weight of 260.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 12920336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).