N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

C15H16ClFN4O2 — CID 113113365

IUPACN-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)no1
InChIInChI=1S/C15H16ClFN4O2/c1-10-8-14(19-23-10)20-4-6-21(7-5-20)15(22)18-11-2-3-13(17)12(16)9-11/h2-3,8-9H,4-7H2,1H3,(H,18,22)
InChIKeySUHBDVSCTNCDEU-UHFFFAOYSA-N
MW338.77 g/mol
LogP3.13
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 113113365) has the molecular formula C15H16ClFN4O2 and a molecular weight of 338.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID113113365
Molecular FormulaC15H16ClFN4O2
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)no1
InChIInChI=1S/C15H16ClFN4O2/c1-10-8-14(19-23-10)20-4-6-21(7-5-20)15(22)18-11-2-3-13(17)12(16)9-11/h2-3,8-9H,4-7H2,1H3,(H,18,22)
InChIKeySUHBDVSCTNCDEU-UHFFFAOYSA-N
XLogP3.13
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114278
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114690
4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113114488
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 47001920
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(3-chloro-4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341881
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(3-chloro-4-fluorophenyl)-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068196
N-(3-chloro-4-fluorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111781
N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 155798093

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 113113365) is N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)no1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is SUHBDVSCTNCDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O2/c1-10-8-14(19-23-10)20-4-6-21(7-5-20)15(22)18-11-2-3-13(17)12(16)9-11/h2-3,8-9H,4-7H2,1H3,(H,18,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 338.77 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113113365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).