2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide

C21H22ClN3O2 — CID 32998042

IUPAC2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-14(2)25-20(26)11-15-3-9-18(10-4-15)23-13-21-24-12-19(27-21)16-5-7-17(22)8-6-16/h3-10,12,14,23H,11,13H2,1-2H3,(H,25,26)
InChIKeyXZCWWQOAKATHAU-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.67
Rot. Bonds7

About 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide

2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide (PubChem CID 32998042) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide
PubChem CID32998042
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-14(2)25-20(26)11-15-3-9-18(10-4-15)23-13-21-24-12-19(27-21)16-5-7-17(22)8-6-16/h3-10,12,14,23H,11,13H2,1-2H3,(H,25,26)
InChIKeyXZCWWQOAKATHAU-UHFFFAOYSA-N
XLogP4.67
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 134020114
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-4-fluoro-3-nitroaniline
CID 36587627
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119995343
2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide
CID 51226891
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 38404443
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 29467289
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide (CID 32998042) is 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is XZCWWQOAKATHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14(2)25-20(26)11-15-3-9-18(10-4-15)23-13-21-24-12-19(27-21)16-5-7-17(22)8-6-16/h3-10,12,14,23H,11,13H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide?
2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 383.88 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 32998042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).