5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide

C22H23N3O5 — CID 53110260

IUPAC5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC(C)C)no2)cc1
InChIInChI=1S/C22H23N3O5/c1-14(2)23-22(27)19-12-17(30-25-19)13-29-16-10-8-15(9-11-16)24-21(26)18-6-4-5-7-20(18)28-3/h4-12,14H,13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUHQHJLJOHAGPFF-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.65
Rot. Bonds8

About 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide

5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 53110260) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID53110260
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC(C)C)no2)cc1
InChIInChI=1S/C22H23N3O5/c1-14(2)23-22(27)19-12-17(30-25-19)13-29-16-10-8-15(9-11-16)24-21(26)18-6-4-5-7-20(18)28-3/h4-12,14H,13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUHQHJLJOHAGPFF-UHFFFAOYSA-N
XLogP3.65
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110271
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110258
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
5-[[4-[(3-chlorobenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110297
N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9318169
N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110217
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9114687
N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide
CID 119051375
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
CID 17130584
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 53110260) is 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is COc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC(C)C)no2)cc1.
What is the InChIKey of 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is UHQHJLJOHAGPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(2)23-22(27)19-12-17(30-25-19)13-29-16-10-8-15(9-11-16)24-21(26)18-6-4-5-7-20(18)28-3/h4-12,14H,13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).