phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate

C14H16N2O3 — CID 59394110

IUPACphenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
SMILESCC(C)Cc1cc(NC(=O)Oc2ccccc2)no1
InChIInChI=1S/C14H16N2O3/c1-10(2)8-12-9-13(16-19-12)15-14(17)18-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChIKeyRGKXTXHIAFWESS-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.48
Rot. Bonds4

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

phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate (PubChem CID 59394110) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
PubChem CID59394110
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namephenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
SMILESCC(C)Cc1cc(NC(=O)Oc2ccccc2)no1
InChIInChI=1S/C14H16N2O3/c1-10(2)8-12-9-13(16-19-12)15-14(17)18-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChIKeyRGKXTXHIAFWESS-UHFFFAOYSA-N
XLogP3.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66876148
phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66894293
phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394007
phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
CID 66876524
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
CID 123365476
1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea
CID 71363909
phenyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 113258696
phenyl N-(6-methoxypyrimidin-4-yl)carbamate
CID 66833981
phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate
CID 170545487
phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate
CID 21467947

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate?
The IUPAC name of phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate (CID 59394110) is phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate.
What is the SMILES notation for phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate?
The canonical SMILES for phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate is CC(C)Cc1cc(NC(=O)Oc2ccccc2)no1.
What is the InChIKey of phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate?
The InChIKey is RGKXTXHIAFWESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(2)8-12-9-13(16-19-12)15-14(17)18-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17).
What are the key properties of phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate?
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate has a molecular weight of 260.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate is sourced from PubChem (CID 59394110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).