N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide

C19H17N3O6 — CID 141302186

IUPACN-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide
SMILESCOc1ccc(-c2conc2-c2cc(OC)c3c(c2)ONO3)cc1NC(C)=O
InChIInChI=1S/C19H17N3O6/c1-10(23)20-14-6-11(4-5-15(14)24-2)13-9-26-21-18(13)12-7-16(25-3)19-17(8-12)27-22-28-19/h4-9,22H,1-3H3,(H,20,23)
InChIKeyVLQQADPCQZRFPN-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.17
Rot. Bonds5

About N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide

N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide (PubChem CID 141302186) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide
PubChem CID141302186
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC NameN-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide
SMILESCOc1ccc(-c2conc2-c2cc(OC)c3c(c2)ONO3)cc1NC(C)=O
InChIInChI=1S/C19H17N3O6/c1-10(23)20-14-6-11(4-5-15(14)24-2)13-9-26-21-18(13)12-7-16(25-3)19-17(8-12)27-22-28-19/h4-9,22H,1-3H3,(H,20,23)
InChIKeyVLQQADPCQZRFPN-UHFFFAOYSA-N
XLogP3.17
TPSA104.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide
CID 58712162
[3-carboxy-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58712217
[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium
CID 58178347
2-amino-N-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]propanamide;hydrochloride
CID 123477282
2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-2-phenylacetamide
CID 58712186
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate
CID 58712055
1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-(2-methylbutyl)urea;hydrochloride
CID 173126193
[5-(diaminomethylideneamino)-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopentan-2-yl]azanium chloride
CID 87207885
[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium chloride
CID 123620706
6-amino-2-(chloroamino)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]hexanamide
CID 149058195
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
CID 11996890

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide (CID 141302186) is N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide is COc1ccc(-c2conc2-c2cc(OC)c3c(c2)ONO3)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide?
The InChIKey is VLQQADPCQZRFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-10(23)20-14-6-11(4-5-15(14)24-2)13-9-26-21-18(13)12-7-16(25-3)19-17(8-12)27-22-28-19/h4-9,22H,1-3H3,(H,20,23).
What are the key properties of N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide?
N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide has a molecular weight of 383.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 141302186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).