2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide

C14H15N3O4 — CID 3863858

IUPAC2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)Nc2ccc3c(c2)OCO3)co1
InChIInChI=1S/C14H15N3O4/c1-2-9(15)14-17-10(6-19-14)13(18)16-8-3-4-11-12(5-8)21-7-20-11/h3-6,9H,2,7,15H2,1H3,(H,16,18)
InChIKeySNNWDVIFOAAJSD-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.07
Rot. Bonds4

About 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide

2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3863858) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID3863858
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)Nc2ccc3c(c2)OCO3)co1
InChIInChI=1S/C14H15N3O4/c1-2-9(15)14-17-10(6-19-14)13(18)16-8-3-4-11-12(5-8)21-7-20-11/h3-6,9H,2,7,15H2,1H3,(H,16,18)
InChIKeySNNWDVIFOAAJSD-UHFFFAOYSA-N
XLogP2.07
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195140
N~1~-(1,3-Benzodioxol-5-YL)-4-[5-methyl-4-(1-pyrrolidinylcarbonyl)-1,3-oxazol-2-YL]tetrahydro-1(2H)-pyridinecarboxamide
CID 71837576
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402801
N-(1,3-benzodioxol-5-yl)-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide
CID 66548860
N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
CID 71909249
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoro-1,3-benzodioxol-5-amine
CID 60972692
N-(1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 2547550
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402789
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide
CID 166004929
2-(1-aminobutyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3315889
2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3315890
2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3435159

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide (CID 3863858) is 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)Nc2ccc3c(c2)OCO3)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is SNNWDVIFOAAJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-9(15)14-17-10(6-19-14)13(18)16-8-3-4-11-12(5-8)21-7-20-11/h3-6,9H,2,7,15H2,1H3,(H,16,18).
What are the key properties of 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3863858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).