5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole

C27H28N2O2 — CID 42346194

IUPAC5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCc1oc(-c2cccc3ccccc23)nc1CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C27H28N2O2/c1-20-26(28-27(31-20)25-13-7-11-22-10-5-6-12-24(22)25)18-29-16-14-23(15-17-29)30-19-21-8-3-2-4-9-21/h2-13,23H,14-19H2,1H3
InChIKeyPUURGKLXPTVZNY-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.98
Rot. Bonds6

About 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole

5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 42346194) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID42346194
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCc1oc(-c2cccc3ccccc23)nc1CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C27H28N2O2/c1-20-26(28-27(31-20)25-13-7-11-22-10-5-6-12-24(22)25)18-29-16-14-23(15-17-29)30-19-21-8-3-2-4-9-21/h2-13,23H,14-19H2,1H3
InChIKeyPUURGKLXPTVZNY-UHFFFAOYSA-N
XLogP5.98
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 26319745
4-[[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 29259202
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 29211803
3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 45168668
2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45212654
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 42100915
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45214788
5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one
CID 157186592
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole (CID 42346194) is 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole is Cc1oc(-c2cccc3ccccc23)nc1CN1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is PUURGKLXPTVZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-20-26(28-27(31-20)25-13-7-11-22-10-5-6-12-24(22)25)18-29-16-14-23(15-17-29)30-19-21-8-3-2-4-9-21/h2-13,23H,14-19H2,1H3.
What are the key properties of 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 412.53 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 42346194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).