N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide

C19H25N3O5 — CID 53110137

IUPACN-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(COc2ccc(NC(=O)C(C)C)cc2)on1
InChIInChI=1S/C19H25N3O5/c1-13(2)18(23)21-14-5-7-15(8-6-14)26-12-16-11-17(22-27-16)19(24)20-9-4-10-25-3/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyBTCUSZDMWFZSKL-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.61
Rot. Bonds10

About N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide

N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 53110137) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID53110137
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(COc2ccc(NC(=O)C(C)C)cc2)on1
InChIInChI=1S/C19H25N3O5/c1-13(2)18(23)21-14-5-7-15(8-6-14)26-12-16-11-17(22-27-16)19(24)20-9-4-10-25-3/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyBTCUSZDMWFZSKL-UHFFFAOYSA-N
XLogP2.61
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110258
5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
CID 53110053
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110271
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
5-[(4-acetamidophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 163335935
N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110194
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 53110220
5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 25366237

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 53110137) is N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide is COCCCNC(=O)c1cc(COc2ccc(NC(=O)C(C)C)cc2)on1.
What is the InChIKey of N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BTCUSZDMWFZSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-13(2)18(23)21-14-5-7-15(8-6-14)26-12-16-11-17(22-27-16)19(24)20-9-4-10-25-3/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).