N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C11H19N3O2 — CID 110833015

IUPACN-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(C)N
InChIInChI=1S/C11H19N3O2/c1-7(12)6-13-11(15)5-4-10-8(2)14-16-9(10)3/h7H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyQZIVYGWQHJADAF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.69
Rot. Bonds5

About N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 110833015) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID110833015
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(C)N
InChIInChI=1S/C11H19N3O2/c1-7(12)6-13-11(15)5-4-10-8(2)14-16-9(10)3/h7H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyQZIVYGWQHJADAF-UHFFFAOYSA-N
XLogP0.69
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031474
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252751
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686148
(2S)-2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 119320910
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43238767
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598726
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 86985319
(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
CID 78975515

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 110833015) is N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is QZIVYGWQHJADAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(12)6-13-11(15)5-4-10-8(2)14-16-9(10)3/h7H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 110833015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).