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

C23H31N3O4 — CID 53110155

IUPACN-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCCCC(=O)Nc1ccc(OCc2cc(C(=O)NCC3CCCCC3)no2)cc1
InChIInChI=1S/C23H31N3O4/c1-2-3-9-22(27)25-18-10-12-19(13-11-18)29-16-20-14-21(26-30-20)23(28)24-15-17-7-5-4-6-8-17/h10-14,17H,2-9,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyCSHQYURVSZSYSQ-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.69
Rot. Bonds10

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

N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 53110155) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID53110155
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCCCC(=O)Nc1ccc(OCc2cc(C(=O)NCC3CCCCC3)no2)cc1
InChIInChI=1S/C23H31N3O4/c1-2-3-9-22(27)25-18-10-12-19(13-11-18)29-16-20-14-21(26-30-20)23(28)24-15-17-7-5-4-6-8-17/h10-14,17H,2-9,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyCSHQYURVSZSYSQ-UHFFFAOYSA-N
XLogP4.69
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110206
5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
CID 53110053
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110215
N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110035
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536681
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(2-fluorobenzoyl)amino]phenoxy]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95086436
N-[4-(cyclohexylamino)phenyl]pentanamide
CID 112980712
N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide
CID 174867647

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 53110155) is N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CCCCC(=O)Nc1ccc(OCc2cc(C(=O)NCC3CCCCC3)no2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CSHQYURVSZSYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-2-3-9-22(27)25-18-10-12-19(13-11-18)29-16-20-14-21(26-30-20)23(28)24-15-17-7-5-4-6-8-17/h10-14,17H,2-9,15-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).