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

C18H23N3O4 — CID 53110041

IUPAC5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)Nc1ccc(OCc2cc(C(=O)NC(C)C)no2)cc1
InChIInChI=1S/C18H23N3O4/c1-4-5-17(22)20-13-6-8-14(9-7-13)24-11-15-10-16(21-25-15)18(23)19-12(2)3/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeySTNHJPQCUYFIMM-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.13
Rot. Bonds8

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

5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 53110041) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID53110041
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)Nc1ccc(OCc2cc(C(=O)NC(C)C)no2)cc1
InChIInChI=1S/C18H23N3O4/c1-4-5-17(22)20-13-6-8-14(9-7-13)24-11-15-10-16(21-25-15)18(23)19-12(2)3/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeySTNHJPQCUYFIMM-UHFFFAOYSA-N
XLogP3.13
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
CID 53110053
5-[[4-[(3-chlorobenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110297
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110260
N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110155
N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110217
5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110206
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110137
N-(4-butoxyphenyl)butanamide
CID 4939679
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110194
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 53110041) is 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is CCCC(=O)Nc1ccc(OCc2cc(C(=O)NC(C)C)no2)cc1.
What is the InChIKey of 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is STNHJPQCUYFIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-5-17(22)20-13-6-8-14(9-7-13)24-11-15-10-16(21-25-15)18(23)19-12(2)3/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).