(4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole

C16H22N2O — CID 135041366

IUPAC(4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)[C@H]1C(c2ccccc2)=NO[C@@H]1N1CCCC1
InChIInChI=1S/C16H22N2O/c1-12(2)14-15(13-8-4-3-5-9-13)17-19-16(14)18-10-6-7-11-18/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyDZGNUJWWMXCBMG-HOCLYGCPSA-N
MW258.37 g/mol
LogP3.12
Rot. Bonds3

About (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole

(4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole (PubChem CID 135041366) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
PubChem CID135041366
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)[C@H]1C(c2ccccc2)=NO[C@@H]1N1CCCC1
InChIInChI=1S/C16H22N2O/c1-12(2)14-15(13-8-4-3-5-9-13)17-19-16(14)18-10-6-7-11-18/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyDZGNUJWWMXCBMG-HOCLYGCPSA-N
XLogP3.12
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3'-phenylspiro[1-azoniabicyclo[2.2.1]heptane-3,5'-4H-1,2-oxazole] iodide
CID 56934299
5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-, O-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)oxime,hydrochloride, hydrate (2:2:1), endo-
CID 9578728
N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 56648505
1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N,N-dimethylmethanamine
CID 56648594
5-Methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
CID 56648685
3-Benzyl-5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
CID 56648692
8-(Cyclopropylmethyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134787259
9-(Cyclopentylmethyl)-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134787740
3-Phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 102494046
1-{Methyl[(3-phenyl-4,5-dihydro-1,2-oxazol-5-YL)methyl]amino}pentan-2-OL
CID 24714490
(5R)-5-(2-azaspiro[4.4]nonan-2-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 129616621
8-Methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11064249

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole (CID 135041366) is (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole is CC(C)[C@H]1C(c2ccccc2)=NO[C@@H]1N1CCCC1.
What is the InChIKey of (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is DZGNUJWWMXCBMG-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)14-15(13-8-4-3-5-9-13)17-19-16(14)18-10-6-7-11-18/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole?
(4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 258.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 135041366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).