N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide

C20H20N4O6 — CID 97254503

IUPACN-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H](NC(=O)c1ncoc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20N4O6/c1-11-17(22-9-29-11)19(25)21-8-14(24-20(26)18-12(2)30-10-23-18)13-3-4-15-16(7-13)28-6-5-27-15/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,21,25)(H,24,26)/t14-/m1/s1
InChIKeyDLMPZIAMMDVBTJ-CQSZACIVSA-N
MW412.40 g/mol
LogP1.95
Rot. Bonds6

About N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 97254503) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID97254503
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC NameN-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H](NC(=O)c1ncoc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20N4O6/c1-11-17(22-9-29-11)19(25)21-8-14(24-20(26)18-12(2)30-10-23-18)13-3-4-15-16(7-13)28-6-5-27-15/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,21,25)(H,24,26)/t14-/m1/s1
InChIKeyDLMPZIAMMDVBTJ-CQSZACIVSA-N
XLogP1.95
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562
4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
CID 60538347
(3R)-3-acetamido-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 78947553
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]benzamide
CID 119099537
4-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 129467448
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48579382
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119182132
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55907467
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]pyridine-2-carboxamide
CID 89411121
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97066738
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 97254503) is N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC[C@@H](NC(=O)c1ncoc1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is DLMPZIAMMDVBTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-11-17(22-9-29-11)19(25)21-8-14(24-20(26)18-12(2)30-10-23-18)13-3-4-15-16(7-13)28-6-5-27-15/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,21,25)(H,24,26)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 412.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97254503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).