N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide

C19H18N2O3 — CID 96548574

IUPACN-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2ccco2)nc1CC(=O)NC[C@H]1Cc2ccccc21
InChIInChI=1S/C19H18N2O3/c1-12-16(21-19(24-12)17-7-4-8-23-17)10-18(22)20-11-14-9-13-5-2-3-6-15(13)14/h2-8,14H,9-11H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyZKNGXRWPNOPSCX-CQSZACIVSA-N
MW322.36 g/mol
LogP3.24
Rot. Bonds5

About N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 96548574) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID96548574
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2ccco2)nc1CC(=O)NC[C@H]1Cc2ccccc21
InChIInChI=1S/C19H18N2O3/c1-12-16(21-19(24-12)17-7-4-8-23-17)10-18(22)20-11-14-9-13-5-2-3-6-15(13)14/h2-8,14H,9-11H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyZKNGXRWPNOPSCX-CQSZACIVSA-N
XLogP3.24
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 96548574) is N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide is Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H]1Cc2ccccc21.
What is the InChIKey of N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is ZKNGXRWPNOPSCX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-16(21-19(24-12)17-7-4-8-23-17)10-18(22)20-11-14-9-13-5-2-3-6-15(13)14/h2-8,14H,9-11H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 96548574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).