N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide

C18H24ClN5O2 — CID 71931752

IUPACN-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide
SMILESCCc1nnc(C(C)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C18H24ClN5O2/c1-3-16-21-22-17(26-16)13(2)23-8-5-9-24(11-10-23)18(25)20-15-7-4-6-14(19)12-15/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,20,25)
InChIKeyPSXNSBFFDUSXPK-UHFFFAOYSA-N
MW377.88 g/mol
LogP3.59
Rot. Bonds4

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

N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide (PubChem CID 71931752) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide
PubChem CID71931752
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC NameN-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide
SMILESCCc1nnc(C(C)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C18H24ClN5O2/c1-3-16-21-22-17(26-16)13(2)23-8-5-9-24(11-10-23)18(25)20-15-7-4-6-14(19)12-15/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,20,25)
InChIKeyPSXNSBFFDUSXPK-UHFFFAOYSA-N
XLogP3.59
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide
CID 87021789
[4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 97315741
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275394
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
N-(3-chlorophenyl)-4-[1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 46027296
N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 93221406
2-[4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975732
1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110368299
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide (CID 71931752) is N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide is CCc1nnc(C(C)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1.
What is the InChIKey of N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide?
The InChIKey is PSXNSBFFDUSXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-3-16-21-22-17(26-16)13(2)23-8-5-9-24(11-10-23)18(25)20-15-7-4-6-14(19)12-15/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,20,25).
What are the key properties of N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide?
N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 71931752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).