2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide

C18H21ClN2O4 — CID 52512623

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
SMILESCc1noc(Cl)c1CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C18H21ClN2O4/c1-10(2)17(12-4-5-14-15(8-12)24-7-6-23-14)20-16(22)9-13-11(3)21-25-18(13)19/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyGWOOGKWUUNICOS-KRWDZBQOSA-N
MW364.83 g/mol
LogP3.46
Rot. Bonds5

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide (PubChem CID 52512623) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
PubChem CID52512623
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
SMILESCc1noc(Cl)c1CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C18H21ClN2O4/c1-10(2)17(12-4-5-14-15(8-12)24-7-6-23-14)20-16(22)9-13-11(3)21-25-18(13)19/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyGWOOGKWUUNICOS-KRWDZBQOSA-N
XLogP3.46
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 9258530
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9258691
[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772715
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 8637382
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 8637387
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809820
2-(3-bromophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 60616411
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 8541042
2-(3-chlorophenoxy)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9013167
3,4,5,6-tetrachloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]pyridine-2-carboxamide
CID 16563490
2-chloro-N-[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 9258056
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybutanamide
CID 94232170

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide (CID 52512623) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide is Cc1noc(Cl)c1CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide?
The InChIKey is GWOOGKWUUNICOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-10(2)17(12-4-5-14-15(8-12)24-7-6-23-14)20-16(22)9-13-11(3)21-25-18(13)19/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide has a molecular weight of 364.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 52512623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).