3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide

C12H20N2O3 — CID 109378471

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide
SMILESCc1noc(C)c1C(C)CC(=O)NCCCO
InChIInChI=1S/C12H20N2O3/c1-8(7-11(16)13-5-4-6-15)12-9(2)14-17-10(12)3/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKeyGMNKRGQETXDJPY-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.28
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide (PubChem CID 109378471) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide
PubChem CID109378471
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide
SMILESCc1noc(C)c1C(C)CC(=O)NCCCO
InChIInChI=1S/C12H20N2O3/c1-8(7-11(16)13-5-4-6-15)12-9(2)14-17-10(12)3/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKeyGMNKRGQETXDJPY-UHFFFAOYSA-N
XLogP1.28
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 109379753
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 109379728
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 110000893
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-3-methylpentyl)butanamide
CID 109380177
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545063
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylcyclohexyl)butanamide
CID 154739445
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
CID 113428834
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 120523489
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxy-6-methyl-2-pyridinyl)butanamide
CID 138993062
3-(4-tert-butylphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]propanoic acid
CID 120520525

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide (CID 109378471) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide is Cc1noc(C)c1C(C)CC(=O)NCCCO.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide?
The InChIKey is GMNKRGQETXDJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(7-11(16)13-5-4-6-15)12-9(2)14-17-10(12)3/h8,15H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide has a molecular weight of 240.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 109378471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).