ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate

C14H18N2O3 — CID 115128756

IUPACethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N(C)c1ccc2ncoc2c1
InChIInChI=1S/C14H18N2O3/c1-5-18-13(17)14(2,3)16(4)10-6-7-11-12(8-10)19-9-15-11/h6-9H,5H2,1-4H3
InChIKeyBMSKCRIZPDARJU-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.61
Rot. Bonds4

About ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate

ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate (PubChem CID 115128756) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
PubChem CID115128756
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N(C)c1ccc2ncoc2c1
InChIInChI=1S/C14H18N2O3/c1-5-18-13(17)14(2,3)16(4)10-6-7-11-12(8-10)19-9-15-11/h6-9H,5H2,1-4H3
InChIKeyBMSKCRIZPDARJU-UHFFFAOYSA-N
XLogP2.61
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1,3-benzoxazol-6-yl(methyl)amino]-3-methylbutanoic acid
CID 117042368
4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide
CID 115157280
methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
CID 115232814
3-amino-4-[1,3-benzoxazol-6-yl(methyl)amino]-4-oxobutanoic acid
CID 115181281
2-N-(1,3-benzoxazol-6-yl)-2-N-methylpropane-1,2-diamine
CID 117039932
3-amino-1-(1,3-benzoxazol-6-yl)-3-methylbutan-1-one
CID 116915763
4-amino-N-(1,3-benzoxazol-6-yl)-N,2-dimethylbutanamide
CID 115155993
4-amino-1-[1,3-benzoxazol-6-yl(methyl)amino]butan-2-ol
CID 117039134
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
CID 115154699
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
N-(3-chloropropyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115215548
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate (CID 115128756) is ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate is CCOC(=O)C(C)(C)N(C)c1ccc2ncoc2c1.
What is the InChIKey of ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate?
The InChIKey is BMSKCRIZPDARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-5-18-13(17)14(2,3)16(4)10-6-7-11-12(8-10)19-9-15-11/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate?
ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate has a molecular weight of 262.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 115128756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).