5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide

C18H18ClN3O3 — CID 44556194

IUPAC5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)on1
InChIInChI=1S/C18H18ClN3O3/c1-9(10-3-4-10)22-8-12-5-11(6-13(19)16(12)18(22)24)15-7-14(21-25-15)17(23)20-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,23)/t9-/m0/s1
InChIKeyDOTVOCVFVGFHOG-VIFPVBQESA-N
MW359.81 g/mol
LogP3.11
Rot. Bonds4

About 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide

5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 44556194) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID44556194
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)on1
InChIInChI=1S/C18H18ClN3O3/c1-9(10-3-4-10)22-8-12-5-11(6-13(19)16(12)18(22)24)15-7-14(21-25-15)17(23)20-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,23)/t9-/m0/s1
InChIKeyDOTVOCVFVGFHOG-VIFPVBQESA-N
XLogP3.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide (CID 44556194) is 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide is CNC(=O)c1cc(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)on1.
What is the InChIKey of 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DOTVOCVFVGFHOG-VIFPVBQESA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-9(10-3-4-10)22-8-12-5-11(6-13(19)16(12)18(22)24)15-7-14(21-25-15)17(23)20-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,23)/t9-/m0/s1.
What are the key properties of 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide?
5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44556194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).