N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide

C13H21N3O2 — CID 79242470

IUPACN-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide
SMILESCc1noc(C)c1C(C)NCC(=O)N(C)C1CC1
InChIInChI=1S/C13H21N3O2/c1-8(13-9(2)15-18-10(13)3)14-7-12(17)16(4)11-5-6-11/h8,11,14H,5-7H2,1-4H3
InChIKeyPJRBPGBXHUYRSQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds5

About N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide

N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide (PubChem CID 79242470) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide
PubChem CID79242470
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide
SMILESCc1noc(C)c1C(C)NCC(=O)N(C)C1CC1
InChIInChI=1S/C13H21N3O2/c1-8(13-9(2)15-18-10(13)3)14-7-12(17)16(4)11-5-6-11/h8,11,14H,5-7H2,1-4H3
InChIKeyPJRBPGBXHUYRSQ-UHFFFAOYSA-N
XLogP1.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 79242240
ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate
CID 103255501
N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109
N-cyclopropyl-2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylacetamide
CID 54965170
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 113428831
N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81370950
N-cyclopropyl-N-methyl-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 99820860
N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 78961627
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 79236450
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
CID 113428834
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104577650

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide (CID 79242470) is N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide is Cc1noc(C)c1C(C)NCC(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide?
The InChIKey is PJRBPGBXHUYRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(13-9(2)15-18-10(13)3)14-7-12(17)16(4)11-5-6-11/h8,11,14H,5-7H2,1-4H3.
What are the key properties of N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide?
N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 79242470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).