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

C15H15N3O4 — CID 3522109

IUPACN-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1coc(C2CCCN2)n1
InChIInChI=1S/C15H15N3O4/c19-14(11-7-20-15(18-11)10-2-1-5-16-10)17-9-3-4-12-13(6-9)22-8-21-12/h3-4,6-7,10,16H,1-2,5,8H2,(H,17,19)
InChIKeyHOXVLQJYIFDUDF-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.08
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3522109) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3522109
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1coc(C2CCCN2)n1
InChIInChI=1S/C15H15N3O4/c19-14(11-7-20-15(18-11)10-2-1-5-16-10)17-9-3-4-12-13(6-9)22-8-21-12/h3-4,6-7,10,16H,1-2,5,8H2,(H,17,19)
InChIKeyHOXVLQJYIFDUDF-UHFFFAOYSA-N
XLogP2.08
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzo[d][1,3]dioxol-5-yl)-2-(furan-2-carboxamido)oxazole-4-carboxamide
CID 52907937
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-ethyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1,3-benzodioxol-5-amine
CID 56669697
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoro-1,3-benzodioxol-5-amine
CID 60972692
2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3315890
2-(1-aminobutyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3553568
2-(1-amino-3-methylsulfanylpropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3592246
N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3611652
2-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
CID 3665721

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 3522109) is N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1coc(C2CCCN2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is HOXVLQJYIFDUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-14(11-7-20-15(18-11)10-2-1-5-16-10)17-9-3-4-12-13(6-9)22-8-21-12/h3-4,6-7,10,16H,1-2,5,8H2,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3522109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).