N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide

C22H24ClN3O2 — CID 55836198

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(-c2cnco2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-3-26(4-2)20(18-7-5-6-8-19(18)23)13-25-22(27)17-11-9-16(10-12-17)21-14-24-15-28-21/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,25,27)
InChIKeyPCUIBHHTTGQJRE-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.81
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 55836198) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID55836198
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(-c2cnco2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-3-26(4-2)20(18-7-5-6-8-19(18)23)13-25-22(27)17-11-9-16(10-12-17)21-14-24-15-28-21/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,25,27)
InChIKeyPCUIBHHTTGQJRE-UHFFFAOYSA-N
XLogP4.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
CID 18269959
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
N-[2-(methylamino)propyl]-4-(1,3-oxazol-5-yl)benzamide
CID 120826619
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2H-triazole-4-carboxamide
CID 51595080
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058
4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
CID 47262158
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522526

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide (CID 55836198) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide is CCN(CC)C(CNC(=O)c1ccc(-c2cnco2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is PCUIBHHTTGQJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-3-26(4-2)20(18-7-5-6-8-19(18)23)13-25-22(27)17-11-9-16(10-12-17)21-14-24-15-28-21/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 397.91 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 55836198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).