(2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide

C18H22N2O4 — CID 164636899

IUPAC(2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1c(NC(=O)[C@H](C)c2ccc3c(c2)OCO3)noc1C(C)(C)C
InChIInChI=1S/C18H22N2O4/c1-10(12-6-7-13-14(8-12)23-9-22-13)17(21)19-16-11(2)15(24-20-16)18(3,4)5/h6-8,10H,9H2,1-5H3,(H,19,20,21)/t10-/m1/s1
InChIKeySQHXZBSYKMCXSZ-SNVBAGLBSA-N
MW330.38 g/mol
LogP3.75
Rot. Bonds3

About (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 164636899) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID164636899
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1c(NC(=O)[C@H](C)c2ccc3c(c2)OCO3)noc1C(C)(C)C
InChIInChI=1S/C18H22N2O4/c1-10(12-6-7-13-14(8-12)23-9-22-13)17(21)19-16-11(2)15(24-20-16)18(3,4)5/h6-8,10H,9H2,1-5H3,(H,19,20,21)/t10-/m1/s1
InChIKeySQHXZBSYKMCXSZ-SNVBAGLBSA-N
XLogP3.75
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 35071968
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 61178173
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18143574
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 86885722
N-[(4-tert-butylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 25222516
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119699866
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-tert-butyl-5-methyl-1,2-oxazole-4-carboxamide
CID 110427593
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanehydrazide
CID 116843838
2-[1-(1,3-benzodioxol-5-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65061141
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,5-dimethylhexyl)propanamide
CID 86892024

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide (CID 164636899) is (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide is Cc1c(NC(=O)[C@H](C)c2ccc3c(c2)OCO3)noc1C(C)(C)C.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is SQHXZBSYKMCXSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-10(12-6-7-13-14(8-12)23-9-22-13)17(21)19-16-11(2)15(24-20-16)18(3,4)5/h6-8,10H,9H2,1-5H3,(H,19,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 164636899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).