tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate

C15H18N2O3 — CID 104941376

IUPACtert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccccc1)c1cnco1
InChIInChI=1S/C15H18N2O3/c1-15(2,3)20-14(18)17-13(12-9-16-10-19-12)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyPLVYXIXMBNPZCD-CYBMUJFWSA-N
MW274.32 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate

tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate (PubChem CID 104941376) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate
PubChem CID104941376
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nametert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccccc1)c1cnco1
InChIInChI=1S/C15H18N2O3/c1-15(2,3)20-14(18)17-13(12-9-16-10-19-12)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyPLVYXIXMBNPZCD-CYBMUJFWSA-N
XLogP3.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate
CID 58900543
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
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(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetic acid
CID 26601142
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate
CID 70164650
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
tert-butyl N-[phenyl(phenylsulfanyl)methyl]carbamate
CID 23303676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate (CID 104941376) is tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1cnco1.
What is the InChIKey of tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate?
The InChIKey is PLVYXIXMBNPZCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,3)20-14(18)17-13(12-9-16-10-19-12)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate?
tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate is sourced from PubChem (CID 104941376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).