methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate

C18H16N2O6 — CID 18932089

IUPACmethyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate
SMILESCOC(=O)Nc1ccc(OCc2nc3ccc(C(=O)OC)cc3o2)cc1
InChIInChI=1S/C18H16N2O6/c1-23-17(21)11-3-8-14-15(9-11)26-16(20-14)10-25-13-6-4-12(5-7-13)19-18(22)24-2/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyHXBGRIXTHIGOIW-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.37
Rot. Bonds5

About methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate

methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate (PubChem CID 18932089) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate
PubChem CID18932089
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Namemethyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate
SMILESCOC(=O)Nc1ccc(OCc2nc3ccc(C(=O)OC)cc3o2)cc1
InChIInChI=1S/C18H16N2O6/c1-23-17(21)11-3-8-14-15(9-11)26-16(20-14)10-25-13-6-4-12(5-7-13)19-18(22)24-2/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyHXBGRIXTHIGOIW-UHFFFAOYSA-N
XLogP3.37
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate
CID 18932382
2-[(4-tert-butylphenoxy)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 24966893
methyl 2-octyl-1,3-benzoxazole-6-carboxylate
CID 10732176
1-[4-(1,3-benzoxazol-2-ylmethoxy)phenyl]-3-(3,4-dichlorophenyl)urea
CID 134466042
methyl 2-methylsulfanyl-1,3-benzoxazole-6-carboxylate
CID 59603330
methyl 2-(bromomethyl)-1,3-benzoxazole-5-carboxylate
CID 19917455
methyl N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]carbamate
CID 78903690
2-[(2-methylpropan-2-yl)oxymethyl]-1,3-benzoxazole-6-carboxylic acid
CID 112605925
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83970975
(E)-3-(6-methoxycarbonyl-1,3-benzoxazol-2-yl)prop-2-enoic acid
CID 84632665
methyl 2-(ethylaminomethyl)-1,3-benzoxazole-5-carboxylate
CID 83949095

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate?
The IUPAC name of methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate (CID 18932089) is methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate.
What is the SMILES notation for methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate?
The canonical SMILES for methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate is COC(=O)Nc1ccc(OCc2nc3ccc(C(=O)OC)cc3o2)cc1.
What is the InChIKey of methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate?
The InChIKey is HXBGRIXTHIGOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-23-17(21)11-3-8-14-15(9-11)26-16(20-14)10-25-13-6-4-12(5-7-13)19-18(22)24-2/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate?
methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate has a molecular weight of 356.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate is sourced from PubChem (CID 18932089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).