5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

C20H25N3O5 — CID 23996073

IUPAC5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(CN(C(=O)C3CC3)C(C)CO)on2)cc1
InChIInChI=1S/C20H25N3O5/c1-13(12-24)23(20(26)15-5-6-15)11-17-9-18(22-28-17)19(25)21-10-14-3-7-16(27-2)8-4-14/h3-4,7-9,13,15,24H,5-6,10-12H2,1-2H3,(H,21,25)
InChIKeyXFRPZLRDHTXNTE-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.73
Rot. Bonds9

About 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23996073) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID23996073
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(CN(C(=O)C3CC3)C(C)CO)on2)cc1
InChIInChI=1S/C20H25N3O5/c1-13(12-24)23(20(26)15-5-6-15)11-17-9-18(22-28-17)19(25)21-10-14-3-7-16(27-2)8-4-14/h3-4,7-9,13,15,24H,5-6,10-12H2,1-2H3,(H,21,25)
InChIKeyXFRPZLRDHTXNTE-UHFFFAOYSA-N
XLogP1.73
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23799293
5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23741978
5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23936297
5-[[cyclohexanecarbonyl(cyclopropyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23761703
N-(1,3-benzodioxol-5-ylmethyl)-5-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23904698
N-[(4-fluorophenyl)methyl]-5-[[2-(4-methoxyphenyl)ethyl-(3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23989425
5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23736208
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23968520
5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 46949508
5-[[1,3-benzodioxole-5-carbonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23820515
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23963752
N-[(4-fluorophenyl)methyl]-5-[[(3-methoxybenzoyl)-[2-(4-methoxyphenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818982

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 23996073) is 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(CN(C(=O)C3CC3)C(C)CO)on2)cc1.
What is the InChIKey of 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XFRPZLRDHTXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-13(12-24)23(20(26)15-5-6-15)11-17-9-18(22-28-17)19(25)21-10-14-3-7-16(27-2)8-4-14/h3-4,7-9,13,15,24H,5-6,10-12H2,1-2H3,(H,21,25).
What are the key properties of 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23996073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).