(7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole

C16H21NO3 — CID 126669264

IUPAC(7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole
SMILESCCOc1noc2cc3c(cc12)CC[C@H](C(C)(C)C)O3
InChIInChI=1S/C16H21NO3/c1-5-18-15-11-8-10-6-7-14(16(2,3)4)19-12(10)9-13(11)20-17-15/h8-9,14H,5-7H2,1-4H3/t14-/m1/s1
InChIKeyYMMAGSXNQUZLMJ-CQSZACIVSA-N
MW275.35 g/mol
LogP3.97
Rot. Bonds2

About (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole

(7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole (PubChem CID 126669264) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole.

Molecular Properties

Compound Name(7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole
PubChem CID126669264
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole
SMILESCCOc1noc2cc3c(cc12)CC[C@H](C(C)(C)C)O3
InChIInChI=1S/C16H21NO3/c1-5-18-15-11-8-10-6-7-14(16(2,3)4)19-12(10)9-13(11)20-17-15/h8-9,14H,5-7H2,1-4H3/t14-/m1/s1
InChIKeyYMMAGSXNQUZLMJ-CQSZACIVSA-N
XLogP3.97
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole 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 (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole?
The IUPAC name of (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole (CID 126669264) is (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole.
What is the SMILES notation for (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole?
The canonical SMILES for (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole is CCOc1noc2cc3c(cc12)CC[C@H](C(C)(C)C)O3.
What is the InChIKey of (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole?
The InChIKey is YMMAGSXNQUZLMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-18-15-11-8-10-6-7-14(16(2,3)4)19-12(10)9-13(11)20-17-15/h8-9,14H,5-7H2,1-4H3/t14-/m1/s1.
What are the key properties of (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole?
(7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole has a molecular weight of 275.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-tert-butyl-3-ethoxy-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole is sourced from PubChem (CID 126669264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).