N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C22H25N3O3 — CID 86965666

IUPACN-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C2=NOC(c3ccccc3)C2)C1
InChIInChI=1S/C22H25N3O3/c1-27-20-12-6-5-11-19(20)25-13-7-10-17(15-25)23-22(26)18-14-21(28-24-18)16-8-3-2-4-9-16/h2-6,8-9,11-12,17,21H,7,10,13-15H2,1H3,(H,23,26)
InChIKeyKVQHWBARNPMGAN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.30
Rot. Bonds5

About N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 86965666) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID86965666
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C2=NOC(c3ccccc3)C2)C1
InChIInChI=1S/C22H25N3O3/c1-27-20-12-6-5-11-19(20)25-13-7-10-17(15-25)23-22(26)18-14-21(28-24-18)16-8-3-2-4-9-16/h2-6,8-9,11-12,17,21H,7,10,13-15H2,1H3,(H,23,26)
InChIKeyKVQHWBARNPMGAN-UHFFFAOYSA-N
XLogP3.30
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
CID 86965606
1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
CID 86965624
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
CID 86965528
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 86966309

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 86965666) is N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is COc1ccccc1N1CCCC(NC(=O)C2=NOC(c3ccccc3)C2)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is KVQHWBARNPMGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-20-12-6-5-11-19(20)25-13-7-10-17(15-25)23-22(26)18-14-21(28-24-18)16-8-3-2-4-9-16/h2-6,8-9,11-12,17,21H,7,10,13-15H2,1H3,(H,23,26).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86965666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).