N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide

C16H21N3O2 — CID 78961627

IUPACN-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC(C)c2c(C)noc2C)cc1
InChIInChI=1S/C16H21N3O2/c1-10(16-11(2)19-21-12(16)3)17-9-14-5-7-15(8-6-14)18-13(4)20/h5-8,10,17H,9H2,1-4H3,(H,18,20)
InChIKeyWHZBKWLDNXBOQV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.10
Rot. Bonds5

About N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide

N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide (PubChem CID 78961627) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
PubChem CID78961627
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC(C)c2c(C)noc2C)cc1
InChIInChI=1S/C16H21N3O2/c1-10(16-11(2)19-21-12(16)3)17-9-14-5-7-15(8-6-14)18-13(4)20/h5-8,10,17H,9H2,1-4H3,(H,18,20)
InChIKeyWHZBKWLDNXBOQV-UHFFFAOYSA-N
XLogP3.10
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]benzonitrile
CID 78961485
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 78961504
N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 78961733
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 79242240
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911382
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104577650
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 106910403
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
CID 112554882
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-methylphenol
CID 78961384
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 79230833
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide (CID 78961627) is N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC(C)c2c(C)noc2C)cc1.
What is the InChIKey of N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide?
The InChIKey is WHZBKWLDNXBOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(16-11(2)19-21-12(16)3)17-9-14-5-7-15(8-6-14)18-13(4)20/h5-8,10,17H,9H2,1-4H3,(H,18,20).
What are the key properties of N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide?
N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 78961627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).