N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C18H19N3O5 — CID 72842190

IUPACN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2c(=O)oc3ccccc32)on1
InChIInChI=1S/C18H19N3O5/c1-11-6-13(26-20-11)7-12-9-24-10-14(12)19-17(22)8-21-15-4-2-3-5-16(15)25-18(21)23/h2-6,12,14H,7-10H2,1H3,(H,19,22)/t12-,14+/m1/s1
InChIKeyFBPUMSYTMLJGKN-OCCSQVGLSA-N
MW357.37 g/mol
LogP1.26
Rot. Bonds5

About N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 72842190) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID72842190
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2c(=O)oc3ccccc32)on1
InChIInChI=1S/C18H19N3O5/c1-11-6-13(26-20-11)7-12-9-24-10-14(12)19-17(22)8-21-15-4-2-3-5-16(15)25-18(21)23/h2-6,12,14H,7-10H2,1H3,(H,19,22)/t12-,14+/m1/s1
InChIKeyFBPUMSYTMLJGKN-OCCSQVGLSA-N
XLogP1.26
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 72842190) is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2c(=O)oc3ccccc32)on1.
What is the InChIKey of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is FBPUMSYTMLJGKN-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11-6-13(26-20-11)7-12-9-24-10-14(12)19-17(22)8-21-15-4-2-3-5-16(15)25-18(21)23/h2-6,12,14H,7-10H2,1H3,(H,19,22)/t12-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 357.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 72842190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).