3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H22N2O5 — CID 3241835

IUPAC3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(C2=NOC(C(=O)NCC3CCCO3)C2)c1
InChIInChI=1S/C17H22N2O5/c1-21-11-5-6-15(22-2)13(8-11)14-9-16(24-19-14)17(20)18-10-12-4-3-7-23-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyHWDHRSDYYUPKRF-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.49
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3241835) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3241835
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(C2=NOC(C(=O)NCC3CCCO3)C2)c1
InChIInChI=1S/C17H22N2O5/c1-21-11-5-6-15(22-2)13(8-11)14-9-16(24-19-14)17(20)18-10-12-4-3-7-23-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyHWDHRSDYYUPKRF-UHFFFAOYSA-N
XLogP1.49
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
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
N-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245926
Ethyl 4-{[3-(2,5-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperazine-1-carboxylate
CID 3235635
N-isopropyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3238224
3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3244224
3-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550379
N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3242561
N-cyclohexyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3237669
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238762
N-(4-methoxybenzyl)-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236325
4-{[3-(3-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}morpholine
CID 3237549

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3241835) is 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(OC)c(C2=NOC(C(=O)NCC3CCCO3)C2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HWDHRSDYYUPKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-21-11-5-6-15(22-2)13(8-11)14-9-16(24-19-14)17(20)18-10-12-4-3-7-23-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3241835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).