N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide

C12H14N2O3 — CID 5307986

IUPACN-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccco2)no1
InChIInChI=1S/C12H14N2O3/c1-2-4-9-7-11(14-17-9)12(15)13-8-10-5-3-6-16-10/h3,5-7H,2,4,8H2,1H3,(H,13,15)
InChIKeyOSYLCPULEZWINS-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.15
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5307986) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5307986
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccco2)no1
InChIInChI=1S/C12H14N2O3/c1-2-4-9-7-11(14-17-9)12(15)13-8-10-5-3-6-16-10/h3,5-7H,2,4,8H2,1H3,(H,13,15)
InChIKeyOSYLCPULEZWINS-UHFFFAOYSA-N
XLogP2.15
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308926
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96572832
6-(ethylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62172875
6-(dipropylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346353
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(furan-2-ylmethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 72847764
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5307986) is N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCc2ccco2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is OSYLCPULEZWINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-4-9-7-11(14-17-9)12(15)13-8-10-5-3-6-16-10/h3,5-7H,2,4,8H2,1H3,(H,13,15).
What are the key properties of N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).