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

C11H19N3O2 — CID 76851958

IUPAC(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide
SMILESCCCN[C@@H](C)C(=O)Nc1c(C)noc1C
InChIInChI=1S/C11H19N3O2/c1-5-6-12-8(3)11(15)13-10-7(2)14-16-9(10)4/h8,12H,5-6H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeyOOAGGMBVAFHXRV-QMMMGPOBSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds5

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

(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide (PubChem CID 76851958) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide
PubChem CID76851958
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide
SMILESCCCN[C@@H](C)C(=O)Nc1c(C)noc1C
InChIInChI=1S/C11H19N3O2/c1-5-6-12-8(3)11(15)13-10-7(2)14-16-9(10)4/h8,12H,5-6H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeyOOAGGMBVAFHXRV-QMMMGPOBSA-N
XLogP1.62
TPSA67.16 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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxypropanamide
CID 130616947
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
5-ethyl-4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylic acid
CID 67845750
propyl 3,5-dimethyl-4-[2-(propylamino)propanoylamino]benzoate
CID 18658
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 56788300
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 19532382
N-decyl-3,5-dimethyl-1,2-oxazol-4-amine
CID 150808567
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-propan-2-yloxyethyl)piperazine-1-carboxamide
CID 71982835

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide?
The IUPAC name of (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide (CID 76851958) is (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide?
The canonical SMILES for (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide is CCCN[C@@H](C)C(=O)Nc1c(C)noc1C.
What is the InChIKey of (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide?
The InChIKey is OOAGGMBVAFHXRV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-6-12-8(3)11(15)13-10-7(2)14-16-9(10)4/h8,12H,5-6H2,1-4H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide?
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide has a molecular weight of 225.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide is sourced from PubChem (CID 76851958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).