tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate

C17H22N2O3 — CID 18517002

IUPACtert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C17H22N2O3/c1-16(2,3)21-15(20)19-17(4,5)13-8-6-12(7-9-13)14-10-11-18-22-14/h6-11H,1-5H3,(H,19,20)
InChIKeyCTCSPPPTIGUELG-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate

tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate (PubChem CID 18517002) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate
PubChem CID18517002
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C17H22N2O3/c1-16(2,3)21-15(20)19-17(4,5)13-8-6-12(7-9-13)14-10-11-18-22-14/h6-11H,1-5H3,(H,19,20)
InChIKeyCTCSPPPTIGUELG-UHFFFAOYSA-N
XLogP4.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate (CID 18517002) is tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccno2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate?
The InChIKey is CTCSPPPTIGUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-16(2,3)21-15(20)19-17(4,5)13-8-6-12(7-9-13)14-10-11-18-22-14/h6-11H,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate?
tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate has a molecular weight of 302.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 18517002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).