N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C14H17N3O3 — CID 47230401

IUPACN-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)NCc2ccco2)on1
InChIInChI=1S/C14H17N3O3/c1-10-8-13(20-16-10)12-5-2-6-17(12)14(18)15-9-11-4-3-7-19-11/h3-4,7-8,12H,2,5-6,9H2,1H3,(H,15,18)
InChIKeyYBXAMCOZFPBGLE-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.62
Rot. Bonds3

About N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47230401) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47230401
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)NCc2ccco2)on1
InChIInChI=1S/C14H17N3O3/c1-10-8-13(20-16-10)12-5-2-6-17(12)14(18)15-9-11-4-3-7-19-11/h3-4,7-8,12H,2,5-6,9H2,1H3,(H,15,18)
InChIKeyYBXAMCOZFPBGLE-UHFFFAOYSA-N
XLogP2.62
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(furan-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 5307986
N-(2-furylmethyl)-5-isopropyl-3-isoxazolecarboxamide
CID 5309360
N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 9550991
(1R,5S)-methyl 3-(3,5-dimethylisoxazol-4-yl)-8-(furan-2-ylmethylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25068215
N-(2-furylmethyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 715566
N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 1246336
N-(2-(dimethylamino)-2-(furan-2-yl)ethyl)-5-methylisoxazole-3-carboxamide
CID 2999613
N-[(Furan-2-YL)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308926
N-{[1-(2-furylmethyl)-3-piperidinyl]methyl}-3-isobutyl-5-isoxazolecarboxamide
CID 70719590
3-(Furan-2-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 45815572
3-[1-(Furan-2-yl)propan-2-yl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 45831874
2-(diethylamino)-N-[[3-(furan-2-yl)-1,2-oxazol-5-yl]methyl]acetamide
CID 51050445

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47230401) is N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)NCc2ccco2)on1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is YBXAMCOZFPBGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-8-13(20-16-10)12-5-2-6-17(12)14(18)15-9-11-4-3-7-19-11/h3-4,7-8,12H,2,5-6,9H2,1H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47230401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).