N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide

C22H24ClN3O2 — CID 99717177

IUPACN-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1C
InChIInChI=1S/C22H24ClN3O2/c1-4-6-20(27)26-19-8-5-7-18(14(19)2)24-13-21-25-15(3)22(28-21)16-9-11-17(23)12-10-16/h5,7-12,24H,4,6,13H2,1-3H3,(H,26,27)
InChIKeyMOWYHIIAIPHQQB-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.96
Rot. Bonds7

About N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide

N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide (PubChem CID 99717177) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide
PubChem CID99717177
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1C
InChIInChI=1S/C22H24ClN3O2/c1-4-6-20(27)26-19-8-5-7-18(14(19)2)24-13-21-25-15(3)22(28-21)16-9-11-17(23)12-10-16/h5,7-12,24H,4,6,13H2,1-3H3,(H,26,27)
InChIKeyMOWYHIIAIPHQQB-UHFFFAOYSA-N
XLogP5.96
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide?
The IUPAC name of N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide (CID 99717177) is N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide.
What is the SMILES notation for N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide?
The canonical SMILES for N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide is CCCC(=O)Nc1cccc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1C.
What is the InChIKey of N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide?
The InChIKey is MOWYHIIAIPHQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-6-20(27)26-19-8-5-7-18(14(19)2)24-13-21-25-15(3)22(28-21)16-9-11-17(23)12-10-16/h5,7-12,24H,4,6,13H2,1-3H3,(H,26,27).
What are the key properties of N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide?
N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide has a molecular weight of 397.91 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide is sourced from PubChem (CID 99717177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).