methyl 4-methoxy-1,3-benzoxazole-2-carboxylate

C10H9NO4 — CID 135000177

IUPACmethyl 4-methoxy-1,3-benzoxazole-2-carboxylate
SMILESCOC(=O)c1nc2c(OC)cccc2o1
InChIInChI=1S/C10H9NO4/c1-13-6-4-3-5-7-8(6)11-9(15-7)10(12)14-2/h3-5H,1-2H3
InChIKeyWDIRYXBJEWNYEM-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.62
Rot. Bonds2

About methyl 4-methoxy-1,3-benzoxazole-2-carboxylate

methyl 4-methoxy-1,3-benzoxazole-2-carboxylate (PubChem CID 135000177) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is methyl 4-methoxy-1,3-benzoxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1,3-benzoxazole-2-carboxylate
PubChem CID135000177
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Namemethyl 4-methoxy-1,3-benzoxazole-2-carboxylate
SMILESCOC(=O)c1nc2c(OC)cccc2o1
InChIInChI=1S/C10H9NO4/c1-13-6-4-3-5-7-8(6)11-9(15-7)10(12)14-2/h3-5H,1-2H3
InChIKeyWDIRYXBJEWNYEM-UHFFFAOYSA-N
XLogP1.62
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl benzo[e][1,3]benzoxazole-2-carboxylate
CID 83387453
2-(4-methoxy-1,3-benzoxazol-2-yl)propanedioic acid
CID 138472648
N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 114764916
2-ethyl-2-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]butanoic acid
CID 114764820
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide
CID 138741422
methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 14616762
4-(difluoromethoxy)-1,3-benzoxazole-2-carboxylic acid
CID 118846827
methyl 2-ethyl-1,3-benzoxazole-4-carboxylate
CID 59625681
methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate
CID 25157807
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864
methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate
CID 117346029

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1,3-benzoxazole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1,3-benzoxazole-2-carboxylate (CID 135000177) is methyl 4-methoxy-1,3-benzoxazole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1,3-benzoxazole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1,3-benzoxazole-2-carboxylate is COC(=O)c1nc2c(OC)cccc2o1.
What is the InChIKey of methyl 4-methoxy-1,3-benzoxazole-2-carboxylate?
The InChIKey is WDIRYXBJEWNYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-13-6-4-3-5-7-8(6)11-9(15-7)10(12)14-2/h3-5H,1-2H3.
What are the key properties of methyl 4-methoxy-1,3-benzoxazole-2-carboxylate?
methyl 4-methoxy-1,3-benzoxazole-2-carboxylate has a molecular weight of 207.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1,3-benzoxazole-2-carboxylate is sourced from PubChem (CID 135000177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).