[(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone

C19H25N3O3 — CID 97365728

IUPAC[(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone
SMILESCC(C)O[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C19H25N3O3/c1-12(2)25-16-9-8-15-18(16)24-11-10-22(15)19(23)17-13-6-4-5-7-14(13)21(3)20-17/h4-7,12,15-16,18H,8-11H2,1-3H3/t15-,16+,18+/m0/s1
InChIKeyYSZYMTKMDAAWNT-LZLYRXPVSA-N
MW343.43 g/mol
LogP2.37
Rot. Bonds3

About [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone

[(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 97365728) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone
PubChem CID97365728
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone
SMILESCC(C)O[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C19H25N3O3/c1-12(2)25-16-9-8-15-18(16)24-11-10-22(15)19(23)17-13-6-4-5-7-14(13)21(3)20-17/h4-7,12,15-16,18H,8-11H2,1-3H3/t15-,16+,18+/m0/s1
InChIKeyYSZYMTKMDAAWNT-LZLYRXPVSA-N
XLogP2.37
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone with MolForge

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Related Compounds

[(4aS,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone
CID 97365304
[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 134700925
[(4aS,7S,7aR)-7-prop-2-enoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindol-3-yl)methanone
CID 97365849
[(4aS,7S,7aR)-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 97365768
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1-methylindazol-3-yl)methanone
CID 59285779
[(4aS,7S,7aR)-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155852952
[(4aS,7R,7aR)-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155841408
[(4aR,7R,7aS)-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-naphthalen-2-ylmethanone
CID 124792115

Frequently Asked Questions

What is the IUPAC name of [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone (CID 97365728) is [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone is CC(C)O[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is YSZYMTKMDAAWNT-LZLYRXPVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)25-16-9-8-15-18(16)24-11-10-22(15)19(23)17-13-6-4-5-7-14(13)21(3)20-17/h4-7,12,15-16,18H,8-11H2,1-3H3/t15-,16+,18+/m0/s1.
What are the key properties of [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone?
[(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7R,7aR)-7-propan-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 97365728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).