methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate

C18H17NO6 — CID 139779387

IUPACmethyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C18H17NO6/c1-21-13-6-5-10(8-14(13)22-2)17-19-12-7-11(18(20)24-4)9-15(23-3)16(12)25-17/h5-9H,1-4H3
InChIKeyYUWVUVIYWWKDEN-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate

methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate (PubChem CID 139779387) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate
PubChem CID139779387
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Namemethyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C18H17NO6/c1-21-13-6-5-10(8-14(13)22-2)17-19-12-7-11(18(20)24-4)9-15(23-3)16(12)25-17/h5-9H,1-4H3
InChIKeyYUWVUVIYWWKDEN-UHFFFAOYSA-N
XLogP3.31
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676797
2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 56772452
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 1138944
methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 110653204
methyl 4-(5-amino-7-chloro-1,3-benzoxazol-2-yl)benzoate
CID 1100880
bis[2-methoxy-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] benzene-1,4-dicarboxylate
CID 3098427
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852
N-[2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 91677651
methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 56848500

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate?
The IUPAC name of methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate (CID 139779387) is methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate is COC(=O)c1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)nc2c1.
What is the InChIKey of methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate?
The InChIKey is YUWVUVIYWWKDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-21-13-6-5-10(8-14(13)22-2)17-19-12-7-11(18(20)24-4)9-15(23-3)16(12)25-17/h5-9H,1-4H3.
What are the key properties of methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate?
methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 139779387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).