N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide

C14H16ClN5O2 — CID 110419056

IUPACN-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C14H16ClN5O2/c1-10-17-18-14(22-10)20-8-6-19(7-9-20)13(21)16-12-4-2-11(15)3-5-12/h2-5H,6-9H2,1H3,(H,16,21)
InChIKeyKHOSNZIMULDOGT-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.39
Rot. Bonds2

About N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide (PubChem CID 110419056) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
PubChem CID110419056
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC NameN-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C14H16ClN5O2/c1-10-17-18-14(22-10)20-8-6-19(7-9-20)13(21)16-12-4-2-11(15)3-5-12/h2-5H,6-9H2,1H3,(H,16,21)
InChIKeyKHOSNZIMULDOGT-UHFFFAOYSA-N
XLogP2.39
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506985
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
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CID 113113026
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CID 122341455
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CID 55560081
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110396026
N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 17126963
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide (CID 110419056) is N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide is Cc1nnc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is KHOSNZIMULDOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-10-17-18-14(22-10)20-8-6-19(7-9-20)13(21)16-12-4-2-11(15)3-5-12/h2-5H,6-9H2,1H3,(H,16,21).
What are the key properties of N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 321.77 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110419056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).