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

C11H19N3O2 — CID 65487010

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide
SMILESCc1noc(NC(=O)CCNC(C)C)c1C
InChIInChI=1S/C11H19N3O2/c1-7(2)12-6-5-10(15)13-11-8(3)9(4)14-16-11/h7,12H,5-6H2,1-4H3,(H,13,15)
InChIKeyIOUIVAPCADMANB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds5

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 65487010) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide
PubChem CID65487010
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide
SMILESCc1noc(NC(=O)CCNC(C)C)c1C
InChIInChI=1S/C11H19N3O2/c1-7(2)12-6-5-10(15)13-11-8(3)9(4)14-16-11/h7,12H,5-6H2,1-4H3,(H,13,15)
InChIKeyIOUIVAPCADMANB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide (CID 65487010) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide is Cc1noc(NC(=O)CCNC(C)C)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is IOUIVAPCADMANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)12-6-5-10(15)13-11-8(3)9(4)14-16-11/h7,12H,5-6H2,1-4H3,(H,13,15).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)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 N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 65487010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).