N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide

C22H22Cl2N4O2 — CID 46364592

IUPACN-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H22Cl2N4O2/c1-15-20(26-21(30-15)16-3-2-4-18(24)13-16)14-27-9-11-28(12-10-27)22(29)25-19-7-5-17(23)6-8-19/h2-8,13H,9-12,14H2,1H3,(H,25,29)
InChIKeyJUZOIKIABVFCRA-UHFFFAOYSA-N
MW445.35 g/mol
LogP5.31
Rot. Bonds4

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

N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide (PubChem CID 46364592) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
PubChem CID46364592
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC NameN-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H22Cl2N4O2/c1-15-20(26-21(30-15)16-3-2-4-18(24)13-16)14-27-9-11-28(12-10-27)22(29)25-19-7-5-17(23)6-8-19/h2-8,13H,9-12,14H2,1H3,(H,25,29)
InChIKeyJUZOIKIABVFCRA-UHFFFAOYSA-N
XLogP5.31
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 60577718
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
2-(3-chlorophenyl)-4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084971
2-(3-chlorophenyl)-5-methyl-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95216234
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063
N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 17126963
4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide
CID 110673681

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide (CID 46364592) is N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The InChIKey is JUZOIKIABVFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c1-15-20(26-21(30-15)16-3-2-4-18(24)13-16)14-27-9-11-28(12-10-27)22(29)25-19-7-5-17(23)6-8-19/h2-8,13H,9-12,14H2,1H3,(H,25,29).
What are the key properties of N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide has a molecular weight of 445.35 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 46364592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).