benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate

C19H18N2O3 — CID 84513144

IUPACbenzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate
SMILESCc1noc(C)c1-c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-18(14(2)24-21-13)16-8-10-17(11-9-16)20-19(22)23-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyYKMGNOQIDOYFCL-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.71
Rot. Bonds4

About benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate

benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate (PubChem CID 84513144) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate
PubChem CID84513144
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namebenzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate
SMILESCc1noc(C)c1-c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-18(14(2)24-21-13)16-8-10-17(11-9-16)20-19(22)23-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyYKMGNOQIDOYFCL-UHFFFAOYSA-N
XLogP4.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate (CID 84513144) is benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate is Cc1noc(C)c1-c1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate?
The InChIKey is YKMGNOQIDOYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-18(14(2)24-21-13)16-8-10-17(11-9-16)20-19(22)23-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate?
benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate has a molecular weight of 322.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 84513144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).