pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone

C14H19N3O2 — CID 146613852

IUPACpyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(/C=C/N2CCCC2)on1)N1CCCC1
InChIInChI=1S/C14H19N3O2/c18-14(17-8-3-4-9-17)13-11-12(19-15-13)5-10-16-6-1-2-7-16/h5,10-11H,1-4,6-9H2/b10-5+
InChIKeyIPVATANQTLZZSQ-BJMVGYQFSA-N
MW261.32 g/mol
LogP1.98
Rot. Bonds3

About pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone

pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone (PubChem CID 146613852) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone
PubChem CID146613852
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namepyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(/C=C/N2CCCC2)on1)N1CCCC1
InChIInChI=1S/C14H19N3O2/c18-14(17-8-3-4-9-17)13-11-12(19-15-13)5-10-16-6-1-2-7-16/h5,10-11H,1-4,6-9H2/b10-5+
InChIKeyIPVATANQTLZZSQ-BJMVGYQFSA-N
XLogP1.98
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368970
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 46087244
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
3-(4-acetyl-1,4-diazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369448
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 1093829
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone (CID 146613852) is pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone is O=C(c1cc(/C=C/N2CCCC2)on1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is IPVATANQTLZZSQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(17-8-3-4-9-17)13-11-12(19-15-13)5-10-16-6-1-2-7-16/h5,10-11H,1-4,6-9H2/b10-5+.
What are the key properties of pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone?
pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 261.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 146613852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).