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

C15H21ClN2O2 — CID 10424683

IUPAC(1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCC(C)(C)NC[C@H](O)[C@@H]1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)17-9-13(19)14-8-12(18-20-14)10-6-4-5-7-11(10)16/h4-7,13-14,17,19H,8-9H2,1-3H3/t13-,14-/m0/s1
InChIKeyCBPVCKXCJHMHSA-KBPBESRZSA-N
MW296.80 g/mol
LogP2.58
Rot. Bonds4

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

(1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 10424683) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID10424683
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCC(C)(C)NC[C@H](O)[C@@H]1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)17-9-13(19)14-8-12(18-20-14)10-6-4-5-7-11(10)16/h4-7,13-14,17,19H,8-9H2,1-3H3/t13-,14-/m0/s1
InChIKeyCBPVCKXCJHMHSA-KBPBESRZSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol with MolForge

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Related Compounds

2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 85086617
(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 10798102
(5S)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260009
(5R)-N-[(2R)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260010
(1R)-1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668474
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
(1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol
CID 10756392
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
N-benzyl-N-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
CID 46137735
1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 46137694
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 10424683) is (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol is CC(C)(C)NC[C@H](O)[C@@H]1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is CBPVCKXCJHMHSA-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,3)17-9-13(19)14-8-12(18-20-14)10-6-4-5-7-11(10)16/h4-7,13-14,17,19H,8-9H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 296.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 10424683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).