benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone

C14H16N2O2 — CID 167484647

IUPACbenzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1ccon1)N1CCCC1.c1ccccc1
InChIInChI=1S/C8H10N2O2.C6H6/c11-8(7-3-6-12-9-7)10-4-1-2-5-10;1-2-4-6-5-3-1/h3,6H,1-2,4-5H2;1-6H
InChIKeyBDKVKKJQWJLXRR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.60
Rot. Bonds1

About benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone

benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone (PubChem CID 167484647) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namebenzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
PubChem CID167484647
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namebenzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1ccon1)N1CCCC1.c1ccccc1
InChIInChI=1S/C8H10N2O2.C6H6/c11-8(7-3-6-12-9-7)10-4-1-2-5-10;1-2-4-6-5-3-1/h3,6H,1-2,4-5H2;1-6H
InChIKeyBDKVKKJQWJLXRR-UHFFFAOYSA-N
XLogP2.60
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715383
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
1,2-oxazol-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110693756
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997286
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
2-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]propanethioamide
CID 63340423
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358
2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813533

Frequently Asked Questions

What is the IUPAC name of benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone (CID 167484647) is benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone is O=C(c1ccon1)N1CCCC1.c1ccccc1.
What is the InChIKey of benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone?
The InChIKey is BDKVKKJQWJLXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C6H6/c11-8(7-3-6-12-9-7)10-4-1-2-5-10;1-2-4-6-5-3-1/h3,6H,1-2,4-5H2;1-6H.
What are the key properties of benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone?
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 167484647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).