methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate

C16H21N3O3 — CID 71973373

IUPACmethyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C16H21N3O3/c1-16(2,3)13-9-18-14(22-13)10-17-11-6-5-7-12(8-11)19-15(20)21-4/h5-9,17H,10H2,1-4H3,(H,19,20)
InChIKeyPVECHFUFOXJMCH-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.76
Rot. Bonds4

About methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate

methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate (PubChem CID 71973373) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
PubChem CID71973373
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namemethyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C16H21N3O3/c1-16(2,3)13-9-18-14(22-13)10-17-11-6-5-7-12(8-11)19-15(20)21-4/h5-9,17H,10H2,1-4H3,(H,19,20)
InChIKeyPVECHFUFOXJMCH-UHFFFAOYSA-N
XLogP3.76
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate (CID 71973373) is methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate is COC(=O)Nc1cccc(NCc2ncc(C(C)(C)C)o2)c1.
What is the InChIKey of methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate?
The InChIKey is PVECHFUFOXJMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,3)13-9-18-14(22-13)10-17-11-6-5-7-12(8-11)19-15(20)21-4/h5-9,17H,10H2,1-4H3,(H,19,20).
What are the key properties of methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate?
methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate has a molecular weight of 303.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 71973373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).