N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide

C20H23N3O3 — CID 95207088

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
SMILESCc1noc(C)c1NC(=O)c1cccc(CN(C)[C@@H](C)c2ccco2)c1
InChIInChI=1S/C20H23N3O3/c1-13-19(15(3)26-22-13)21-20(24)17-8-5-7-16(11-17)12-23(4)14(2)18-9-6-10-25-18/h5-11,14H,12H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyJZFBANPCGUWPIJ-AWEZNQCLSA-N
MW353.42 g/mol
LogP4.33
Rot. Bonds6

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide (PubChem CID 95207088) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
PubChem CID95207088
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
SMILESCc1noc(C)c1NC(=O)c1cccc(CN(C)[C@@H](C)c2ccco2)c1
InChIInChI=1S/C20H23N3O3/c1-13-19(15(3)26-22-13)21-20(24)17-8-5-7-16(11-17)12-23(4)14(2)18-9-6-10-25-18/h5-11,14H,12H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyJZFBANPCGUWPIJ-AWEZNQCLSA-N
XLogP4.33
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
CID 95189125
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide
CID 95208727
1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
CID 71972779
3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 95197031
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzamide
CID 56706416
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methoxymethyl)benzamide
CID 60600533
N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
CID 95224048
N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38748212
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 167932442
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7780341

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide (CID 95207088) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide is Cc1noc(C)c1NC(=O)c1cccc(CN(C)[C@@H](C)c2ccco2)c1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide?
The InChIKey is JZFBANPCGUWPIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-19(15(3)26-22-13)21-20(24)17-8-5-7-16(11-17)12-23(4)14(2)18-9-6-10-25-18/h5-11,14H,12H2,1-4H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 4.33, 6 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-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 95207088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).