N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide

C23H21ClN4O3 — CID 55361317

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C23H21ClN4O3/c1-3-13-28(14-19-26-27-22(31-19)17-11-7-8-12-18(17)24)23(29)20-15(2)30-21(25-20)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3
InChIKeySOQLZRWWHVDGRJ-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.41
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 55361317) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID55361317
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C23H21ClN4O3/c1-3-13-28(14-19-26-27-22(31-19)17-11-7-8-12-18(17)24)23(29)20-15(2)30-21(25-20)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3
InChIKeySOQLZRWWHVDGRJ-UHFFFAOYSA-N
XLogP5.41
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 55432986
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(phenoxymethyl)-N-propylbenzamide
CID 24684596
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
CID 55361063
5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propylbenzamide
CID 55361219
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-nitro-N-propylbenzamide
CID 24683808
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
CID 55670903
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(dimethylsulfamoyl)-N-propylbenzamide
CID 55361291
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55608652
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
CID 55870987

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide (CID 55361317) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1nc(-c2ccccc2)oc1C.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is SOQLZRWWHVDGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-3-13-28(14-19-26-27-22(31-19)17-11-7-8-12-18(17)24)23(29)20-15(2)30-21(25-20)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55361317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).