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

C20H27N3O4 — CID 53110217

IUPACN-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(COc2ccc(NC(=O)C(C)(C)C)cc2)on1
InChIInChI=1S/C20H27N3O4/c1-6-13(2)21-18(24)17-11-16(27-23-17)12-26-15-9-7-14(8-10-15)22-19(25)20(3,4)5/h7-11,13H,6,12H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyHOLGLCJWMFUKDV-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.77
Rot. Bonds7

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

N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 53110217) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID53110217
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(COc2ccc(NC(=O)C(C)(C)C)cc2)on1
InChIInChI=1S/C20H27N3O4/c1-6-13(2)21-18(24)17-11-16(27-23-17)12-26-15-9-7-14(8-10-15)22-19(25)20(3,4)5/h7-11,13H,6,12H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyHOLGLCJWMFUKDV-UHFFFAOYSA-N
XLogP3.77
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.77
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-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 53110220
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110215
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110260
5-[[4-[(3-chlorobenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110297
5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110206
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110137
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110124
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 53110217) is N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CCC(C)NC(=O)c1cc(COc2ccc(NC(=O)C(C)(C)C)cc2)on1.
What is the InChIKey of N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HOLGLCJWMFUKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-6-13(2)21-18(24)17-11-16(27-23-17)12-26-15-9-7-14(8-10-15)22-19(25)20(3,4)5/h7-11,13H,6,12H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).