5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile

C10H12N4O2 — CID 168660082

IUPAC5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2CC(CN)CC2=O)c1C#N
InChIInChI=1S/C10H12N4O2/c1-6-8(4-12)10(16-13-6)14-5-7(3-11)2-9(14)15/h7H,2-3,5,11H2,1H3
InChIKeyBTYOQGYMRPWGHH-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.17
Rot. Bonds2

About 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile

5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile (PubChem CID 168660082) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
PubChem CID168660082
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2CC(CN)CC2=O)c1C#N
InChIInChI=1S/C10H12N4O2/c1-6-8(4-12)10(16-13-6)14-5-7(3-11)2-9(14)15/h7H,2-3,5,11H2,1H3
InChIKeyBTYOQGYMRPWGHH-UHFFFAOYSA-N
XLogP0.17
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65487395
[1-(4-Cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676283
1-(4-Cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714687
N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine
CID 18728331
3,4-dimethyl-N-propan-2-yl-1,2-oxazol-5-amine
CID 56994718
5-(5-Hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
CID 70554825
5-[5-(Hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
CID 70554827
N-butyl-3,4-dimethyl-1,2-oxazol-5-amine
CID 154191592
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide
CID 45099279
N-(4-Cyano-3-methylisoxazol-5-yl)propionamide
CID 45122943
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propan-2-ylamino)propanamide
CID 65487010
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(ethylamino)propanamide
CID 65487201

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile (CID 168660082) is 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile is Cc1noc(N2CC(CN)CC2=O)c1C#N.
What is the InChIKey of 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The InChIKey is BTYOQGYMRPWGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-8(4-12)10(16-13-6)14-5-7(3-11)2-9(14)15/h7H,2-3,5,11H2,1H3.
What are the key properties of 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile has a molecular weight of 220.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 168660082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).