N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide

C22H23N3O3 — CID 55690441

IUPACN-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H23N3O3/c1-23-22(27)18-10-5-7-16(13-18)14-24-20(26)11-6-12-21-25-15-19(28-21)17-8-3-2-4-9-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyJBJBHJCNGVSHCH-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.34
Rot. Bonds8

About N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide

N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide (PubChem CID 55690441) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
PubChem CID55690441
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H23N3O3/c1-23-22(27)18-10-5-7-16(13-18)14-24-20(26)11-6-12-21-25-15-19(28-21)17-8-3-2-4-9-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyJBJBHJCNGVSHCH-UHFFFAOYSA-N
XLogP3.34
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 38937435
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide
CID 39717055
N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55576627
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38938009
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide (CID 55690441) is N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide?
The InChIKey is JBJBHJCNGVSHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-23-22(27)18-10-5-7-16(13-18)14-24-20(26)11-6-12-21-25-15-19(28-21)17-8-3-2-4-9-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide?
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide is sourced from PubChem (CID 55690441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).