(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate

C16H20N2O3 — CID 174457972

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)NC(C)(C)C
InChIInChI=1S/C16H20N2O3/c1-11-13(10-20-15(19)18-16(2,3)4)17-14(21-11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyJXAXSGFHHRIYTK-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.67
Rot. Bonds3

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate (PubChem CID 174457972) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
PubChem CID174457972
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)NC(C)(C)C
InChIInChI=1S/C16H20N2O3/c1-11-13(10-20-15(19)18-16(2,3)4)17-14(21-11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyJXAXSGFHHRIYTK-UHFFFAOYSA-N
XLogP3.67
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 16589199
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16588456
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate (CID 174457972) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate is Cc1oc(-c2ccccc2)nc1COC(=O)NC(C)(C)C.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate?
The InChIKey is JXAXSGFHHRIYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-13(10-20-15(19)18-16(2,3)4)17-14(21-11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,18,19).
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate has a molecular weight of 288.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 174457972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).