(4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C14H26NOP — CID 11578864

IUPAC(4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1COC([C@H]2CCC[P@]2C(C)(C)C)=N1
InChIInChI=1S/C14H26NOP/c1-10(2)11-9-16-13(15-11)12-7-6-8-17(12)14(3,4)5/h10-12H,6-9H2,1-5H3/t11-,12+,17-/m0/s1
InChIKeyXFERVANJVPKHDQ-JKDFXYPNSA-N
MW255.34 g/mol
LogP3.88
Rot. Bonds2

About (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 11578864) has the molecular formula C14H26NOP and a molecular weight of 255.34 g/mol. Its IUPAC name is (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID11578864
Molecular FormulaC14H26NOP
Molecular Weight255.34 g/mol
Exact Mass255.18
IUPAC Name(4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1COC([C@H]2CCC[P@]2C(C)(C)C)=N1
InChIInChI=1S/C14H26NOP/c1-10(2)11-9-16-13(15-11)12-7-6-8-17(12)14(3,4)5/h10-12H,6-9H2,1-5H3/t11-,12+,17-/m0/s1
InChIKeyXFERVANJVPKHDQ-JKDFXYPNSA-N
XLogP3.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole 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

2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 115061939
(4S)-4-propan-2-yl-2-[(15S,16S)-16-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-4,5-dihydro-1,3-oxazole
CID 102113883
(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101459148
diphenyl-[(1S)-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
CID 121477935
dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)
CID 135024140
(1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane
CID 158209000
4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide
CID 12997293
CID 10905633
CID 10905633
(4S)-2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117326
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 175669898
2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide
CID 101160358

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 11578864) is (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@@H]1COC([C@H]2CCC[P@]2C(C)(C)C)=N1.
What is the InChIKey of (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is XFERVANJVPKHDQ-JKDFXYPNSA-N. The full InChI is InChI=1S/C14H26NOP/c1-10(2)11-9-16-13(15-11)12-7-6-8-17(12)14(3,4)5/h10-12H,6-9H2,1-5H3/t11-,12+,17-/m0/s1.
What are the key properties of (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 255.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11578864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).