N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

C12H14N2O4 — CID 23608889

IUPACN-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccco2)on1
InChIInChI=1S/C12H14N2O4/c1-16-12-7-9(18-14-12)4-5-11(15)13-8-10-3-2-6-17-10/h2-3,6-7H,4-5,8H2,1H3,(H,13,15)
InChIKeyMBLDWMHCXRBVGI-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.53
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (PubChem CID 23608889) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
PubChem CID23608889
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccco2)on1
InChIInChI=1S/C12H14N2O4/c1-16-12-7-9(18-14-12)4-5-11(15)13-8-10-3-2-6-17-10/h2-3,6-7H,4-5,8H2,1H3,(H,13,15)
InChIKeyMBLDWMHCXRBVGI-UHFFFAOYSA-N
XLogP1.53
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (CID 23608889) is N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is COc1cc(CCC(=O)NCc2ccco2)on1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The InChIKey is MBLDWMHCXRBVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-16-12-7-9(18-14-12)4-5-11(15)13-8-10-3-2-6-17-10/h2-3,6-7H,4-5,8H2,1H3,(H,13,15).
What are the key properties of N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide has a molecular weight of 250.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 23608889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).