[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C18H29N3O3 — CID 170506980

IUPAC[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCO[C@@H]1CC[C@H](C(=O)N2CCc3oc(C(C)(C)C)nc3C2)C[C@H]1N
InChIInChI=1S/C18H29N3O3/c1-18(2,3)17-20-13-10-21(8-7-15(13)24-17)16(22)11-5-6-14(23-4)12(19)9-11/h11-12,14H,5-10,19H2,1-4H3/t11-,12+,14+/m0/s1
InChIKeyAMWHFFDCRLANDR-OUCADQQQSA-N
MW335.45 g/mol
LogP2.00
Rot. Bonds2

About [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170506980) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170506980
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCO[C@@H]1CC[C@H](C(=O)N2CCc3oc(C(C)(C)C)nc3C2)C[C@H]1N
InChIInChI=1S/C18H29N3O3/c1-18(2,3)17-20-13-10-21(8-7-15(13)24-17)16(22)11-5-6-14(23-4)12(19)9-11/h11-12,14H,5-10,19H2,1-4H3/t11-,12+,14+/m0/s1
InChIKeyAMWHFFDCRLANDR-OUCADQQQSA-N
XLogP2.00
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170506980) is [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is CO[C@@H]1CC[C@H](C(=O)N2CCc3oc(C(C)(C)C)nc3C2)C[C@H]1N.
What is the InChIKey of [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is AMWHFFDCRLANDR-OUCADQQQSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)17-20-13-10-21(8-7-15(13)24-17)16(22)11-5-6-14(23-4)12(19)9-11/h11-12,14H,5-10,19H2,1-4H3/t11-,12+,14+/m0/s1.
What are the key properties of [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170506980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).