N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide

C18H18N2O4 — CID 30607978

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(2)23-15-7-5-13(6-8-15)18(21)19-11-14-10-17(24-20-14)16-4-3-9-22-16/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyYNGDRBGSPPQSRF-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.65
Rot. Bonds6

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 30607978) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
PubChem CID30607978
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(2)23-15-7-5-13(6-8-15)18(21)19-11-14-10-17(24-20-14)16-4-3-9-22-16/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyYNGDRBGSPPQSRF-UHFFFAOYSA-N
XLogP3.65
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
CID 45496871
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 50971172
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
5-(furan-2-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 55990483
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one
CID 68721708
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
5-ethyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 74235471

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide (CID 30607978) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCc2cc(-c3ccco3)on2)cc1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is YNGDRBGSPPQSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(2)23-15-7-5-13(6-8-15)18(21)19-11-14-10-17(24-20-14)16-4-3-9-22-16/h3-10,12H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 326.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 30607978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).