(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone

C14H14N2O2 — CID 110681388

IUPAC(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(-c2ccccc2)o1)N1CCCC1
InChIInChI=1S/C14H14N2O2/c17-14(16-8-4-5-9-16)12-10-15-13(18-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeySEZNNPBPNXRFLN-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.58
Rot. Bonds2

About (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone

(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 110681388) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID110681388
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(-c2ccccc2)o1)N1CCCC1
InChIInChI=1S/C14H14N2O2/c17-14(16-8-4-5-9-16)12-10-15-13(18-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeySEZNNPBPNXRFLN-UHFFFAOYSA-N
XLogP2.58
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 166253150
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 90540310
(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110702148
[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 176799617
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 166208842
(E)-3-(dimethylamino)-1-(2-phenyl-1,3-oxazol-5-yl)prop-2-en-1-one
CID 59698699
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166848
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone (CID 110681388) is (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone is O=C(c1cnc(-c2ccccc2)o1)N1CCCC1.
What is the InChIKey of (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is SEZNNPBPNXRFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(16-8-4-5-9-16)12-10-15-13(18-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 242.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110681388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).