N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide

C18H16ClN3O3 — CID 7677392

IUPACN-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-11-24-15-6-4-3-5-14(15)18(23)20-17-16(21-25-22-17)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H,20,22,23)
InChIKeyDAZNEVPLMKATNN-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.43
Rot. Bonds6

About N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide

N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide (PubChem CID 7677392) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
PubChem CID7677392
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-11-24-15-6-4-3-5-14(15)18(23)20-17-16(21-25-22-17)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H,20,22,23)
InChIKeyDAZNEVPLMKATNN-UHFFFAOYSA-N
XLogP4.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7709712
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244658
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
CID 7710203
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 7708593
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide (CID 7677392) is N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide?
The InChIKey is DAZNEVPLMKATNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-11-24-15-6-4-3-5-14(15)18(23)20-17-16(21-25-22-17)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H,20,22,23).
What are the key properties of N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide?
N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide has a molecular weight of 357.80 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide is sourced from PubChem (CID 7677392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).