N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

C23H26ClN5O2 — CID 50780396

IUPACN-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1
InChIInChI=1S/C23H26ClN5O2/c1-15(2)22-26-21(27-31-22)17-7-9-18(10-8-17)28-11-13-29(14-12-28)23(30)25-20-6-4-5-19(24)16(20)3/h4-10,15H,11-14H2,1-3H3,(H,25,30)
InChIKeyFFLMYHXRMVWDPN-UHFFFAOYSA-N
MW439.95 g/mol
LogP5.18
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide (PubChem CID 50780396) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
PubChem CID50780396
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1
InChIInChI=1S/C23H26ClN5O2/c1-15(2)22-26-21(27-31-22)17-7-9-18(10-8-17)28-11-13-29(14-12-28)23(30)25-20-6-4-5-19(24)16(20)3/h4-10,15H,11-14H2,1-3H3,(H,25,30)
InChIKeyFFLMYHXRMVWDPN-UHFFFAOYSA-N
XLogP5.18
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.95
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780259
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 50780218
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 50780340
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
N-(3-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902560
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976
methyl 2-[[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 46323958
N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide
CID 50780378
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
N-(3-chloro-2-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949428
N-(3-chloro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949524

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide (CID 50780396) is N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide is Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is FFLMYHXRMVWDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-15(2)22-26-21(27-31-22)17-7-9-18(10-8-17)28-11-13-29(14-12-28)23(30)25-20-6-4-5-19(24)16(20)3/h4-10,15H,11-14H2,1-3H3,(H,25,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 50780396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).