4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide

C20H27N3O2 — CID 25375909

IUPAC4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1
InChIInChI=1S/C20H27N3O2/c1-16-19(25-15-21-16)20(24)23(13-10-17-6-4-3-5-7-17)14-18-8-11-22(2)12-9-18/h3-7,15,18H,8-14H2,1-2H3
InChIKeyPZYDGARGORORSU-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.01
Rot. Bonds6

About 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide

4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide (PubChem CID 25375909) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide
PubChem CID25375909
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1
InChIInChI=1S/C20H27N3O2/c1-16-19(25-15-21-16)20(24)23(13-10-17-6-4-3-5-7-17)14-18-8-11-22(2)12-9-18/h3-7,15,18H,8-14H2,1-2H3
InChIKeyPZYDGARGORORSU-UHFFFAOYSA-N
XLogP3.01
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 42098691
2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
CID 81360931
2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 72878220
5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 42241109
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 26332304
N-ethyl-4-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110686207
(9S)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 97271522
(4S)-N-[(1-methylpiperidin-4-yl)methyl]-2,7-dioxo-N-(2-phenylethyl)-1,3-diazepane-4-carboxamide
CID 97277261
N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide
CID 45182987
2-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45211873
(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 25456727
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide (CID 25375909) is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is PZYDGARGORORSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-19(25-15-21-16)20(24)23(13-10-17-6-4-3-5-7-17)14-18-8-11-22(2)12-9-18/h3-7,15,18H,8-14H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide?
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 25375909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).