N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H18N2O3 — CID 112604979

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1nc2cc(NC(=O)COC(C)(C)C)ccc2o1
InChIInChI=1S/C14H18N2O3/c1-9-15-11-7-10(5-6-12(11)19-9)16-13(17)8-18-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyHUXUQVQJSCQTHI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.89
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604979) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604979
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1nc2cc(NC(=O)COC(C)(C)C)ccc2o1
InChIInChI=1S/C14H18N2O3/c1-9-15-11-7-10(5-6-12(11)19-9)16-13(17)8-18-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyHUXUQVQJSCQTHI-UHFFFAOYSA-N
XLogP2.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 25494068
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-(2-methoxyphenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 25466884
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate
CID 47051874
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)propanamide
CID 61274155
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
CID 82498910

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604979) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1nc2cc(NC(=O)COC(C)(C)C)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is HUXUQVQJSCQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-15-11-7-10(5-6-12(11)19-9)16-13(17)8-18-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 262.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).