(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one

C24H33N3O4 — CID 110201232

IUPAC(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESCc1noc(C)c1Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCCC[C@@H]32)o1
InChIInChI=1S/C24H33N3O4/c1-16-20(17(2)31-26-16)15-18-11-12-22(30-18)24(29)27-14-8-4-3-7-13-25-23(28)19-9-5-6-10-21(19)27/h11-12,19,21H,3-10,13-15H2,1-2H3,(H,25,28)/t19-,21+/m1/s1
InChIKeyZESJVEYPDXHEFS-CTNGQTDRSA-N
MW427.55 g/mol
LogP4.17
Rot. Bonds3

About (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one

(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one (PubChem CID 110201232) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
PubChem CID110201232
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESCc1noc(C)c1Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCCC[C@@H]32)o1
InChIInChI=1S/C24H33N3O4/c1-16-20(17(2)31-26-16)15-18-11-12-22(30-18)24(29)27-14-8-4-3-7-13-25-23(28)19-9-5-6-10-21(19)27/h11-12,19,21H,3-10,13-15H2,1-2H3,(H,25,28)/t19-,21+/m1/s1
InChIKeyZESJVEYPDXHEFS-CTNGQTDRSA-N
XLogP4.17
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 92605819
2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214874
N-cyclooctyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 20966695
(8aR,12aS)-N-[(4-methylphenyl)methyl]-8-oxo-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecine-1-carboxamide
CID 110201310
(8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201552
(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199288
(8aR,12aS)-1-(2-methylpropanoyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecin-8-one
CID 110201301
(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199266
N-[(4-methylphenyl)methyl]-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 156611612
(8aR,11aS)-1-(furan-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201526
(1S,11R)-2-(cyclopentanecarbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201211
1-(3,5-dimethoxybenzoyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecin-8-one
CID 171320447

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The IUPAC name of (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one (CID 110201232) is (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one.
What is the SMILES notation for (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The canonical SMILES for (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one is Cc1noc(C)c1Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCCC[C@@H]32)o1.
What is the InChIKey of (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The InChIKey is ZESJVEYPDXHEFS-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-16-20(17(2)31-26-16)15-18-11-12-22(30-18)24(29)27-14-8-4-3-7-13-25-23(28)19-9-5-6-10-21(19)27/h11-12,19,21H,3-10,13-15H2,1-2H3,(H,25,28)/t19-,21+/m1/s1.
What are the key properties of (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one has a molecular weight of 427.55 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one is sourced from PubChem (CID 110201232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).