tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate

C13H16N2O3 — CID 65142575

IUPACtert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
SMILESCc1nc2cc(NC(=O)OC(C)(C)C)ccc2o1
InChIInChI=1S/C13H16N2O3/c1-8-14-10-7-9(5-6-11(10)17-8)15-12(16)18-13(2,3)4/h5-7H,1-4H3,(H,15,16)
InChIKeyNQVHTRKTHQEOGR-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.48
Rot. Bonds1

About tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate

tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate (PubChem CID 65142575) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
PubChem CID65142575
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nametert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
SMILESCc1nc2cc(NC(=O)OC(C)(C)C)ccc2o1
InChIInChI=1S/C13H16N2O3/c1-8-14-10-7-9(5-6-11(10)17-8)15-12(16)18-13(2,3)4/h5-7H,1-4H3,(H,15,16)
InChIKeyNQVHTRKTHQEOGR-UHFFFAOYSA-N
XLogP3.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
CID 166446222
tert-butyl N-[4-(5-methylfuro[3,2-b]pyridin-2-yl)phenyl]carbamate
CID 142520421
methyl 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanoate
CID 115128289
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
CID 82498910

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate (CID 65142575) is tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate is Cc1nc2cc(NC(=O)OC(C)(C)C)ccc2o1.
What is the InChIKey of tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate?
The InChIKey is NQVHTRKTHQEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-14-10-7-9(5-6-11(10)17-8)15-12(16)18-13(2,3)4/h5-7H,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate?
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate has a molecular weight of 248.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate is sourced from PubChem (CID 65142575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).