pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

C21H32N2O6 — CID 90449437

IUPACpentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCC)CO3)CC2)=N1
InChIInChI=1S/C21H32N2O6/c1-5-7-13(3)28-17(24)15-11-26-19(22-15)21(9-10-21)20-23-16(12-27-20)18(25)29-14(4)8-6-2/h13-16H,5-12H2,1-4H3/t13?,14?,15-,16-/m1/s1
InChIKeyVZHCXPIXXDIVJE-QDIHITRGSA-N
MW408.50 g/mol
LogP2.82
Rot. Bonds10

About pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 90449437) has the molecular formula C21H32N2O6 and a molecular weight of 408.50 g/mol. Its IUPAC name is pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namepentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID90449437
Molecular FormulaC21H32N2O6
Molecular Weight408.50 g/mol
Exact Mass408.23
IUPAC Namepentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCC)CO3)CC2)=N1
InChIInChI=1S/C21H32N2O6/c1-5-7-13(3)28-17(24)15-11-26-19(22-15)21(9-10-21)20-23-16(12-27-20)18(25)29-14(4)8-6-2/h13-16H,5-12H2,1-4H3/t13?,14?,15-,16-/m1/s1
InChIKeyVZHCXPIXXDIVJE-QDIHITRGSA-N
XLogP2.82
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate 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

(4S,4'S)-Di-tert-butyl 2,2'-(cyclopropane-1,1-diyl)bis(4,5-dihydrooxazole-4-carboxylate)
CID 146001408
(4S,4'S)-Diisopropyl 2,2'-(cyclopropane-1,1-diyl)bis(4,5-dihydrooxazole-4-carboxylate)
CID 146001417
Diisopropyl 2,2'-(cyclopropane-1,1-diyl)(4R,4'R)-bis(4,5-dihydrooxazole-4-carboxylate)
CID 154725665
tert-butyl (4S)-2-[1-[(4S)-4-acetyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 155930861
methyl (4S,5R)-2-[2-[(4S,5R)-4-methoxycarbonyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 57615057
methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 87430389
pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 90449294
hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 90449378
hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 90449509
propan-2-yl (4S)-2-[1-[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 140032930
propan-2-yl (4S)-2-[2-[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 140032932
methyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 153042336

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 90449437) is pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is CCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCC)CO3)CC2)=N1.
What is the InChIKey of pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is VZHCXPIXXDIVJE-QDIHITRGSA-N. The full InChI is InChI=1S/C21H32N2O6/c1-5-7-13(3)28-17(24)15-11-26-19(22-15)21(9-10-21)20-23-16(12-27-20)18(25)29-14(4)8-6-2/h13-16H,5-12H2,1-4H3/t13?,14?,15-,16-/m1/s1.
What are the key properties of pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90449437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).