[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

C16H20N2O5 — CID 3237717

IUPAC[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2=NOC(C(=O)N3CCOCC3)C2)cc1OC
InChIInChI=1S/C16H20N2O5/c1-20-13-4-3-11(9-14(13)21-2)12-10-15(23-17-12)16(19)18-5-7-22-8-6-18/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyPIZZUDZFWNFURM-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.06
Rot. Bonds4

About [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3237717) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3237717
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2=NOC(C(=O)N3CCOCC3)C2)cc1OC
InChIInChI=1S/C16H20N2O5/c1-20-13-4-3-11(9-14(13)21-2)12-10-15(23-17-12)16(19)18-5-7-22-8-6-18/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyPIZZUDZFWNFURM-UHFFFAOYSA-N
XLogP1.06
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239086
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239645
8-{[3-(3-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 3244043
3-(3-(cyclopentyloxy)-4-methoxyphenyl)-N-hydroxy-4,5-dihydroisoxazole-5-carboxamide
CID 9840066
(E)-3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-(2-(2,6-dimethylmorpholino)-2-oxoethyl) oxime
CID 44541350
Ethyl 4-{[3-(2,5-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperazine-1-carboxylate
CID 3235635
1-{[3-(3,4-Dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}azepane
CID 3237114
N-isopropyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3238224
N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3240617
1-Benzyl-4-{[3-(2,3-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperazine
CID 3240650
4-{[3-(3,4,5-Trimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}morpholine
CID 3242700
N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3243030

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 3237717) is [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is COc1ccc(C2=NOC(C(=O)N3CCOCC3)C2)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is PIZZUDZFWNFURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-20-13-4-3-11(9-14(13)21-2)12-10-15(23-17-12)16(19)18-5-7-22-8-6-18/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 320.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3237717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).