2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

C15H15N3O — CID 829934

IUPAC2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1N1CCCC1
InChIInChI=1S/C15H15N3O/c16-11-13-15(18-8-4-5-9-18)19-14(17-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2
InChIKeyVKZZANQJWKLEOS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.74
Rot. Bonds3

About 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 829934) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID829934
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1N1CCCC1
InChIInChI=1S/C15H15N3O/c16-11-13-15(18-8-4-5-9-18)19-14(17-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2
InChIKeyVKZZANQJWKLEOS-UHFFFAOYSA-N
XLogP2.74
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile
CID 389296
2-(4-Fluorophenyl)-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 661055
2-Benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 663972
2-(Naphthalen-1-ylmethyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664387
5-(4-Methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 664454
2-Benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile
CID 829936
2-(2-Fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 891850
2-Benzyl-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 1242497
5-(4-Methylpiperazin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 941440
1-(2-Benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
CID 664488
5-Morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 663587
2-Benzyl-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
CID 664081

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (CID 829934) is 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2ccccc2)oc1N1CCCC1.
What is the InChIKey of 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is VKZZANQJWKLEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-11-13-15(18-8-4-5-9-18)19-14(17-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 829934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).