(3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one

C19H23N3O2 — CID 123131593

IUPAC(3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)N(C1CCCC1)[C@H](C)C(=O)N2
InChIInChI=1S/C19H23N3O2/c1-11-18(13(3)24-21-11)14-8-9-16-17(10-14)22(12(2)19(23)20-16)15-6-4-5-7-15/h8-10,12,15H,4-7H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyVNUMHVOEHQKTLC-GFCCVEGCSA-N
MW325.41 g/mol
LogP4.05
Rot. Bonds2

About (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one

(3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 123131593) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID123131593
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)N(C1CCCC1)[C@H](C)C(=O)N2
InChIInChI=1S/C19H23N3O2/c1-11-18(13(3)24-21-11)14-8-9-16-17(10-14)22(12(2)19(23)20-16)15-6-4-5-7-15/h8-10,12,15H,4-7H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyVNUMHVOEHQKTLC-GFCCVEGCSA-N
XLogP4.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one (CID 123131593) is (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one is Cc1noc(C)c1-c1ccc2c(c1)N(C1CCCC1)[C@H](C)C(=O)N2.
What is the InChIKey of (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is VNUMHVOEHQKTLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-11-18(13(3)24-21-11)14-8-9-16-17(10-14)22(12(2)19(23)20-16)15-6-4-5-7-15/h8-10,12,15H,4-7H2,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one?
(3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 325.41 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 123131593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).