3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide

C16H22N2O4 — CID 111481535

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
SMILESCc1ccc(C(C)(O)CNC(=O)CCc2c(C)noc2C)o1
InChIInChI=1S/C16H22N2O4/c1-10-5-7-14(21-10)16(4,20)9-17-15(19)8-6-13-11(2)18-22-12(13)3/h5,7,20H,6,8-9H2,1-4H3,(H,17,19)
InChIKeyDVXBRLNMYPCYJR-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.15
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide (PubChem CID 111481535) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
PubChem CID111481535
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
SMILESCc1ccc(C(C)(O)CNC(=O)CCc2c(C)noc2C)o1
InChIInChI=1S/C16H22N2O4/c1-10-5-7-14(21-10)16(4,20)9-17-15(19)8-6-13-11(2)18-22-12(13)3/h5,7,20H,6,8-9H2,1-4H3,(H,17,19)
InChIKeyDVXBRLNMYPCYJR-UHFFFAOYSA-N
XLogP2.15
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide with MolForge

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701579
N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 31974696
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111481633
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111506172
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481168
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide (CID 111481535) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide is Cc1ccc(C(C)(O)CNC(=O)CCc2c(C)noc2C)o1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide?
The InChIKey is DVXBRLNMYPCYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10-5-7-14(21-10)16(4,20)9-17-15(19)8-6-13-11(2)18-22-12(13)3/h5,7,20H,6,8-9H2,1-4H3,(H,17,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide has a molecular weight of 306.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide is sourced from PubChem (CID 111481535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).