N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

C12H20N2O4 — CID 91636635

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC(CO)C(C)C)on1
InChIInChI=1S/C12H20N2O4/c1-8(2)10(7-15)13-11(16)5-4-9-6-12(17-3)14-18-9/h6,8,10,15H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyCUFYGCKKYQLEDN-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.75
Rot. Bonds7

About N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (PubChem CID 91636635) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
PubChem CID91636635
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC(CO)C(C)C)on1
InChIInChI=1S/C12H20N2O4/c1-8(2)10(7-15)13-11(16)5-4-9-6-12(17-3)14-18-9/h6,8,10,15H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyCUFYGCKKYQLEDN-UHFFFAOYSA-N
XLogP0.75
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid
CID 75489463
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252751
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 92563894
3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide
CID 110222177
3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 92563893
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252822
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 125431179
3-(3-methoxy-1,2-oxazol-5-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 71709865
(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
CID 98464322

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (CID 91636635) is N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is COc1cc(CCC(=O)NC(CO)C(C)C)on1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The InChIKey is CUFYGCKKYQLEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)10(7-15)13-11(16)5-4-9-6-12(17-3)14-18-9/h6,8,10,15H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide has a molecular weight of 256.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 91636635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).