(5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone

C20H23N5O2 — CID 131690643

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC2Cc3cnc(N4CCCC4)nc3C2C1
InChIInChI=1S/C20H23N5O2/c26-19(16-8-17(27-23-16)12-3-4-12)25-10-14-7-13-9-21-20(24-5-1-2-6-24)22-18(13)15(14)11-25/h8-9,12,14-15H,1-7,10-11H2
InChIKeyXBVZJENHGDCBDH-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.35
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone (PubChem CID 131690643) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone
PubChem CID131690643
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC2Cc3cnc(N4CCCC4)nc3C2C1
InChIInChI=1S/C20H23N5O2/c26-19(16-8-17(27-23-16)12-3-4-12)25-10-14-7-13-9-21-20(24-5-1-2-6-24)22-18(13)15(14)11-25/h8-9,12,14-15H,1-7,10-11H2
InChIKeyXBVZJENHGDCBDH-UHFFFAOYSA-N
XLogP2.35
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone with MolForge

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Related Compounds

(3,3-difluorocyclobutyl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone
CID 131690525
(4-methylcyclohexyl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone
CID 131690528
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 86264580
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333056
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124864452
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382
5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 92567796
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92608926

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone (CID 131690643) is (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone is O=C(c1cc(C2CC2)on1)N1CC2Cc3cnc(N4CCCC4)nc3C2C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone?
The InChIKey is XBVZJENHGDCBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-19(16-8-17(27-23-16)12-3-4-12)25-10-14-7-13-9-21-20(24-5-1-2-6-24)22-18(13)15(14)11-25/h8-9,12,14-15H,1-7,10-11H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone is sourced from PubChem (CID 131690643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).