N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

C20H27N3O3 — CID 95221012

IUPACN-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCN(CCc1ccccc1)Cc1cc(C(=O)N(C)C[C@H]2CCCO2)no1
InChIInChI=1S/C20H27N3O3/c1-22(11-10-16-7-4-3-5-8-16)14-18-13-19(21-26-18)20(24)23(2)15-17-9-6-12-25-17/h3-5,7-8,13,17H,6,9-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeySTEGNACRUIUWNV-QGZVFWFLSA-N
MW357.45 g/mol
LogP2.60
Rot. Bonds8

About N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 95221012) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID95221012
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCN(CCc1ccccc1)Cc1cc(C(=O)N(C)C[C@H]2CCCO2)no1
InChIInChI=1S/C20H27N3O3/c1-22(11-10-16-7-4-3-5-8-16)14-18-13-19(21-26-18)20(24)23(2)15-17-9-6-12-25-17/h3-5,7-8,13,17H,6,9-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeySTEGNACRUIUWNV-QGZVFWFLSA-N
XLogP2.60
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 56758073
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56713380
N-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95216881
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95203947
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
CID 96998228
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 95217132
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96574907
5-[[benzoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23820023
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96579479

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 95221012) is N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is CN(CCc1ccccc1)Cc1cc(C(=O)N(C)C[C@H]2CCCO2)no1.
What is the InChIKey of N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is STEGNACRUIUWNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22(11-10-16-7-4-3-5-8-16)14-18-13-19(21-26-18)20(24)23(2)15-17-9-6-12-25-17/h3-5,7-8,13,17H,6,9-12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95221012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).