(1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol

C15H21ClN2O2 — CID 10756392

IUPAC(1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol
SMILESCC(C)(C)NC[C@@H](O)C1=NO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)17-9-13(19)12-8-14(20-18-12)10-4-6-11(16)7-5-10/h4-7,13-14,17,19H,8-9H2,1-3H3/t13-,14-/m1/s1
InChIKeyIPHJGZWUYLMILH-ZIAGYGMSSA-N
MW296.80 g/mol
LogP2.91
Rot. Bonds4

About (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol

(1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol (PubChem CID 10756392) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol
PubChem CID10756392
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol
SMILESCC(C)(C)NC[C@@H](O)C1=NO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)17-9-13(19)12-8-14(20-18-12)10-4-6-11(16)7-5-10/h4-7,13-14,17,19H,8-9H2,1-3H3/t13-,14-/m1/s1
InChIKeyIPHJGZWUYLMILH-ZIAGYGMSSA-N
XLogP2.91
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol?
The IUPAC name of (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol (CID 10756392) is (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol.
What is the SMILES notation for (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol?
The canonical SMILES for (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol is CC(C)(C)NC[C@@H](O)C1=NO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol?
The InChIKey is IPHJGZWUYLMILH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,3)17-9-13(19)12-8-14(20-18-12)10-4-6-11(16)7-5-10/h4-7,13-14,17,19H,8-9H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol?
(1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol has a molecular weight of 296.80 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol is sourced from PubChem (CID 10756392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).