N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide

C13H24N2O2 — CID 131801559

IUPACN-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
SMILESCCC(C)[C@H](NC(C)=O)C1=N[C@H](C(C)C)CO1
InChIInChI=1S/C13H24N2O2/c1-6-9(4)12(14-10(5)16)13-15-11(7-17-13)8(2)3/h8-9,11-12H,6-7H2,1-5H3,(H,14,16)/t9?,11-,12-/m0/s1
InChIKeyVIELCQAGMRHSBL-WEBCLNCGSA-N
MW240.35 g/mol
LogP1.99
Rot. Bonds5

About N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide

N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide (PubChem CID 131801559) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
PubChem CID131801559
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
SMILESCCC(C)[C@H](NC(C)=O)C1=N[C@H](C(C)C)CO1
InChIInChI=1S/C13H24N2O2/c1-6-9(4)12(14-10(5)16)13-15-11(7-17-13)8(2)3/h8-9,11-12H,6-7H2,1-5H3,(H,14,16)/t9?,11-,12-/m0/s1
InChIKeyVIELCQAGMRHSBL-WEBCLNCGSA-N
XLogP1.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylbutyl]acetamide
CID 130455229
N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
CID 139579499
N-[(1S,2S)-1-[(4S)-4-[[2,6-bis(4-fluorophenyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]acetamide
CID 130474218
2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
CID 84654084
N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide
CID 130474095
2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide
CID 101160358
(4S)-2-[phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102082599
(4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102579629
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
(4S)-2-propan-2-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 45082197
(4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 154728762
2-amino-2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]ethanesulfonic acid
CID 11299732

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide?
The IUPAC name of N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide (CID 131801559) is N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide?
The canonical SMILES for N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide is CCC(C)[C@H](NC(C)=O)C1=N[C@H](C(C)C)CO1.
What is the InChIKey of N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide?
The InChIKey is VIELCQAGMRHSBL-WEBCLNCGSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-9(4)12(14-10(5)16)13-15-11(7-17-13)8(2)3/h8-9,11-12H,6-7H2,1-5H3,(H,14,16)/t9?,11-,12-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide?
N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide is sourced from PubChem (CID 131801559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).