5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole

C23H23N3OS — CID 25380661

IUPAC5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@H]1c1nccs1
InChIInChI=1S/C23H23N3OS/c1-16-20(15-26-12-5-4-8-21(26)23-24-11-13-28-23)25-22(27-16)19-10-9-17-6-2-3-7-18(17)14-19/h2-3,6-7,9-11,13-14,21H,4-5,8,12,15H2,1H3/t21-/m0/s1
InChIKeyXMGWCIWWQYEQJB-NRFANRHFSA-N
MW389.52 g/mol
LogP5.99
Rot. Bonds4

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

5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 25380661) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID25380661
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@H]1c1nccs1
InChIInChI=1S/C23H23N3OS/c1-16-20(15-26-12-5-4-8-21(26)23-24-11-13-28-23)25-22(27-16)19-10-9-17-6-2-3-7-18(17)14-19/h2-3,6-7,9-11,13-14,21H,4-5,8,12,15H2,1H3/t21-/m0/s1
InChIKeyXMGWCIWWQYEQJB-NRFANRHFSA-N
XLogP5.99
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(Isoquinolin-5-ylmethyl)methyl{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}amine
CID 16191249
2-(2,4-Difluorophenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191257
2-[(5-Methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
CID 44571128
1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 42121138
1-{[2-(3,5-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1,3-thiazol-2-yl)piperidine
CID 45228295
(1R,5S)-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 164634649
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
CID 10298315
5-(3-Fluoro-4-methylsulfonylphenyl)-2-methyl-4-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole
CID 17923493
5-(3-Fluoro-4-methylsulfonylphenyl)-2-methyl-4-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole
CID 53950416
[2-Phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840318
[4-[1-[[2-Phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 71231999
4-({3-Ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-C]pyridin-6-YL}methyl)-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 20964349

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 25380661) is 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole is Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@H]1c1nccs1.
What is the InChIKey of 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is XMGWCIWWQYEQJB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-16-20(15-26-12-5-4-8-21(26)23-24-11-13-28-23)25-22(27-16)19-10-9-17-6-2-3-7-18(17)14-19/h2-3,6-7,9-11,13-14,21H,4-5,8,12,15H2,1H3/t21-/m0/s1.
What are the key properties of 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 389.52 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 25380661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).