N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide

C10H18N2O2 — CID 130455229

IUPACN-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide
SMILESCC[C@H](C)[C@H](NC(C)=O)C1=NCCO1
InChIInChI=1S/C10H18N2O2/c1-4-7(2)9(12-8(3)13)10-11-5-6-14-10/h7,9H,4-6H2,1-3H3,(H,12,13)/t7-,9-/m0/s1
InChIKeyICMPBFSDORIGPA-CBAPKCEASA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds4

About N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide

N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide (PubChem CID 130455229) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide
PubChem CID130455229
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide
SMILESCC[C@H](C)[C@H](NC(C)=O)C1=NCCO1
InChIInChI=1S/C10H18N2O2/c1-4-7(2)9(12-8(3)13)10-11-5-6-14-10/h7,9H,4-6H2,1-3H3,(H,12,13)/t7-,9-/m0/s1
InChIKeyICMPBFSDORIGPA-CBAPKCEASA-N
XLogP0.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide?
The IUPAC name of N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide (CID 130455229) is N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide?
The canonical SMILES for N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide is CC[C@H](C)[C@H](NC(C)=O)C1=NCCO1.
What is the InChIKey of N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide?
The InChIKey is ICMPBFSDORIGPA-CBAPKCEASA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-7(2)9(12-8(3)13)10-11-5-6-14-10/h7,9H,4-6H2,1-3H3,(H,12,13)/t7-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide?
N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide has a molecular weight of 198.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide is sourced from PubChem (CID 130455229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).