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

C25H27N3O2 — CID 146322225

IUPAC(3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one
SMILESCc1onc(-c2ccccc2)c1-c1ccc2c(c1)N(C1CCCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C25H27N3O2/c1-16-25(29)27(3)21-14-13-19(15-22(21)28(16)20-11-7-8-12-20)23-17(2)30-26-24(23)18-9-5-4-6-10-18/h4-6,9-10,13-16,20H,7-8,11-12H2,1-3H3/t16-/m1/s1
InChIKeyJZSYDRSRCXEFRF-MRXNPFEDSA-N
MW401.51 g/mol
LogP5.43
Rot. Bonds3

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

(3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one (PubChem CID 146322225) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one
PubChem CID146322225
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one
SMILESCc1onc(-c2ccccc2)c1-c1ccc2c(c1)N(C1CCCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C25H27N3O2/c1-16-25(29)27(3)21-14-13-19(15-22(21)28(16)20-11-7-8-12-20)23-17(2)30-26-24(23)18-9-5-4-6-10-18/h4-6,9-10,13-16,20H,7-8,11-12H2,1-3H3/t16-/m1/s1
InChIKeyJZSYDRSRCXEFRF-MRXNPFEDSA-N
XLogP5.43
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-ethyl-3,4-dihydroquinoxalin-2(1H)-one (5i)
CID 122164734
(R)-6-(3,5-dimethylisoxazol-4-yl)-4-(4-methoxybenzyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one (8)
CID 122164732
(R)-3,4-dibenzyl-6-(3,5-dimethylisoxazol-4-yl)-3,4-dihydroquinoxalin-2(1H)-one (5j)
CID 122164735
4-(4-Chlorobenzyl)-6-(3,5-dimethylisoxazol-4-yl)-3,4-dihydroquinoxalin-2(1H)-one (5k)
CID 122164736
4(R)-4-cyclopentyl-6-(3,5-dimethylisoxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin 2(1H)-one (5
CID 123131593
(R)-N-(1-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)isoxazol-3-yl)benzamide
CID 53317614
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)isoxazol-3-yl)benzamide
CID 53326758
1(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (5a)
CID 122164729
2(R)-6-(3,5-dimethylisoxazol-4-yl)-4-(4-methoxybenzyl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (5b)
CID 122164730
4(R)-4-cyclopentyl-6-(3,5-dimethylisoxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (5d)
CID 122164731
8(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-(hydroxymethyl)-3,4-dihydroquinoxalin-2(1H)-one (5h)
CID 122164733
(S)-N-(1-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)isoxazol-3-yl)benzamide
CID 53317615

Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one?
The IUPAC name of (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one (CID 146322225) is (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one is Cc1onc(-c2ccccc2)c1-c1ccc2c(c1)N(C1CCCC1)[C@H](C)C(=O)N2C.
What is the InChIKey of (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one?
The InChIKey is JZSYDRSRCXEFRF-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16-25(29)27(3)21-14-13-19(15-22(21)28(16)20-11-7-8-12-20)23-17(2)30-26-24(23)18-9-5-4-6-10-18/h4-6,9-10,13-16,20H,7-8,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one?
(3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one has a molecular weight of 401.51 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one is sourced from PubChem (CID 146322225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).