tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid

C15H20N2O4 — CID 67015772

IUPACtert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid
SMILESCOc1ccc2c(C(C)N(C(=O)O)C(C)(C)C)noc2c1
InChIInChI=1S/C15H20N2O4/c1-9(17(14(18)19)15(2,3)4)13-11-7-6-10(20-5)8-12(11)21-16-13/h6-9H,1-5H3,(H,18,19)
InChIKeyVTIULAWZNSQJRD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid

tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid (PubChem CID 67015772) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid
PubChem CID67015772
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nametert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid
SMILESCOc1ccc2c(C(C)N(C(=O)O)C(C)(C)C)noc2c1
InChIInChI=1S/C15H20N2O4/c1-9(17(14(18)19)15(2,3)4)13-11-7-6-10(20-5)8-12(11)21-16-13/h6-9H,1-5H3,(H,18,19)
InChIKeyVTIULAWZNSQJRD-UHFFFAOYSA-N
XLogP3.68
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[(2S)-1-(3-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid
CID 66812593
3-propan-2-yl-1,2-benzoxazole-6-carboxylic acid
CID 105457090
3-(dibromomethyl)-5-methoxy-1,2-benzoxazole
CID 119090324
3-(6-methoxy-2,1-benzoxazol-3-yl)-2-methylpropanoic acid
CID 105495901
methyl 5-methoxy-1,2-benzoxazole-3-carboxylate
CID 84820117
3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587
4-(6-methoxy-1,2-benzoxazol-3-yl)aniline
CID 82105934
tert-butyl-[(1S)-1-[5-chloro-3-(6-cyano-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]carbamic acid
CID 155025764
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 96580245
tert-butyl 6-methoxy-1-benzofuran-3-carboxylate
CID 102421543

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid (CID 67015772) is tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid is COc1ccc2c(C(C)N(C(=O)O)C(C)(C)C)noc2c1.
What is the InChIKey of tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid?
The InChIKey is VTIULAWZNSQJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(17(14(18)19)15(2,3)4)13-11-7-6-10(20-5)8-12(11)21-16-13/h6-9H,1-5H3,(H,18,19).
What are the key properties of tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid?
tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid has a molecular weight of 292.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(6-methoxy-1,2-benzoxazol-3-yl)ethyl]carbamic acid is sourced from PubChem (CID 67015772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).