(5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate

C18H16N2O3 — CID 1481096

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C18H16N2O3/c1-13-7-9-15(10-8-13)19-18(21)22-12-16-11-17(23-20-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyKHAMPGANHJUYBL-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.40
Rot. Bonds4

About (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate

(5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate (PubChem CID 1481096) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate
PubChem CID1481096
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C18H16N2O3/c1-13-7-9-15(10-8-13)19-18(21)22-12-16-11-17(23-20-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyKHAMPGANHJUYBL-UHFFFAOYSA-N
XLogP4.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate (CID 1481096) is (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate?
The InChIKey is KHAMPGANHJUYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-13-7-9-15(10-8-13)19-18(21)22-12-16-11-17(23-20-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate?
(5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate has a molecular weight of 308.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 1481096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).