(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C17H20N2O2 — CID 146230169

IUPAC(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3ccccc3)C2)no1
InChIInChI=1S/C17H20N2O2/c1-12(2)16-10-15(18-21-16)17(20)19-9-8-14(11-19)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3
InChIKeyYMNXGZKGZOITIP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.43
Rot. Bonds3

About (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 146230169) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID146230169
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3ccccc3)C2)no1
InChIInChI=1S/C17H20N2O2/c1-12(2)16-10-15(18-21-16)17(20)19-9-8-14(11-19)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3
InChIKeyYMNXGZKGZOITIP-UHFFFAOYSA-N
XLogP3.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122
2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126432962
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872305
1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 51897824
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027

Frequently Asked Questions

What is the IUPAC name of (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 146230169) is (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(c3ccccc3)C2)no1.
What is the InChIKey of (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is YMNXGZKGZOITIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)16-10-15(18-21-16)17(20)19-9-8-14(11-19)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3.
What are the key properties of (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 146230169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).