N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H23N3O5 — CID 131939559

IUPACN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(NC(=O)C2CC(C(C)C)=NO2)ccc1OC
InChIInChI=1S/C17H23N3O5/c1-10(2)12-8-15(25-20-12)17(22)18-11-5-6-14(24-4)13(7-11)19-16(21)9-23-3/h5-7,10,15H,8-9H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyORCBQUQFOGBVSO-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.02
Rot. Bonds7

About N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 131939559) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID131939559
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC NameN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(NC(=O)C2CC(C(C)C)=NO2)ccc1OC
InChIInChI=1S/C17H23N3O5/c1-10(2)12-8-15(25-20-12)17(22)18-11-5-6-14(24-4)13(7-11)19-16(21)9-23-3/h5-7,10,15H,8-9H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyORCBQUQFOGBVSO-UHFFFAOYSA-N
XLogP2.02
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 131902769
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]pyridine-2-carboxamide
CID 131938039
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131902519
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503534
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131896511
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158099
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503706
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131895084
N-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095913

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 131939559) is N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is COCC(=O)Nc1cc(NC(=O)C2CC(C(C)C)=NO2)ccc1OC.
What is the InChIKey of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ORCBQUQFOGBVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-10(2)12-8-15(25-20-12)17(22)18-11-5-6-14(24-4)13(7-11)19-16(21)9-23-3/h5-7,10,15H,8-9H2,1-4H3,(H,18,22)(H,19,21).
What are the key properties of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131939559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).