N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide

C27H33ClN4O2 — CID 71493334

IUPACN-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1C(NC(=O)CN1CCN(CCc2c(C)noc2C)CC1)c1ccccc1
InChIInChI=1S/C27H33ClN4O2/c1-19-17-23(28)9-10-24(19)27(22-7-5-4-6-8-22)29-26(33)18-32-15-13-31(14-16-32)12-11-25-20(2)30-34-21(25)3/h4-10,17,27H,11-16,18H2,1-3H3,(H,29,33)
InChIKeySZCRKRCBJKXWAO-UHFFFAOYSA-N
MW481.04 g/mol
LogP4.32
Rot. Bonds8

About N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide

N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 71493334) has the molecular formula C27H33ClN4O2 and a molecular weight of 481.04 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID71493334
Molecular FormulaC27H33ClN4O2
Molecular Weight481.04 g/mol
Exact Mass480.23
IUPAC NameN-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1C(NC(=O)CN1CCN(CCc2c(C)noc2C)CC1)c1ccccc1
InChIInChI=1S/C27H33ClN4O2/c1-19-17-23(28)9-10-24(19)27(22-7-5-4-6-8-22)29-26(33)18-32-15-13-31(14-16-32)12-11-25-20(2)30-34-21(25)3/h4-10,17,27H,11-16,18H2,1-3H3,(H,29,33)
InChIKeySZCRKRCBJKXWAO-UHFFFAOYSA-N
XLogP4.32
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.04
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-methyl-4-[(2-methyl-3-pyridinyl)methylamino]piperidin-1-yl]acetamide
CID 71494604
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71247963
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493658
N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 45281440
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 18166430
N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134043087
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 95134605
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4789308
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(2-hydroxy-1-pyridin-4-ylethyl)-1-benzofuran-6-yl]acetamide
CID 71247097

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide (CID 71493334) is N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide is Cc1cc(Cl)ccc1C(NC(=O)CN1CCN(CCc2c(C)noc2C)CC1)c1ccccc1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is SZCRKRCBJKXWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O2/c1-19-17-23(28)9-10-24(19)27(22-7-5-4-6-8-22)29-26(33)18-32-15-13-31(14-16-32)12-11-25-20(2)30-34-21(25)3/h4-10,17,27H,11-16,18H2,1-3H3,(H,29,33).
What are the key properties of N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide?
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 481.04 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71493334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).