N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide

C20H27N3O3 — CID 95208727

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide
SMILESCCN(Cc1cccc(C(=O)Nc2c(C)noc2C)c1)C[C@H]1CCCO1
InChIInChI=1S/C20H27N3O3/c1-4-23(13-18-9-6-10-25-18)12-16-7-5-8-17(11-16)20(24)21-19-14(2)22-26-15(19)3/h5,7-8,11,18H,4,6,9-10,12-13H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyFDMAVCCVYRBVRZ-GOSISDBHSA-N
MW357.45 g/mol
LogP3.54
Rot. Bonds7

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide (PubChem CID 95208727) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide
PubChem CID95208727
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide
SMILESCCN(Cc1cccc(C(=O)Nc2c(C)noc2C)c1)C[C@H]1CCCO1
InChIInChI=1S/C20H27N3O3/c1-4-23(13-18-9-6-10-25-18)12-16-7-5-8-17(11-16)20(24)21-19-14(2)22-26-15(19)3/h5,7-8,11,18H,4,6,9-10,12-13H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyFDMAVCCVYRBVRZ-GOSISDBHSA-N
XLogP3.54
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide with MolForge

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Related Compounds

3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide
CID 50973491
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904078
N-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
CID 95207088
N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38748212
3-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 122560301
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880699
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
2-methyl-1-[(3-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]but-3-en-2-ol
CID 24714217
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
CID 55840577

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide (CID 95208727) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide is CCN(Cc1cccc(C(=O)Nc2c(C)noc2C)c1)C[C@H]1CCCO1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide?
The InChIKey is FDMAVCCVYRBVRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-23(13-18-9-6-10-25-18)12-16-7-5-8-17(11-16)20(24)21-19-14(2)22-26-15(19)3/h5,7-8,11,18H,4,6,9-10,12-13H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide is sourced from PubChem (CID 95208727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).