N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide

C19H22N4O2 — CID 56708357

IUPACN-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2CCN(Cc3cccc(C#N)c3)C2)on1
InChIInChI=1S/C19H22N4O2/c1-2-17-9-18(25-22-17)19(24)21-11-16-6-7-23(13-16)12-15-5-3-4-14(8-15)10-20/h3-5,8-9,16H,2,6-7,11-13H2,1H3,(H,21,24)
InChIKeyFKWWEWHHLYVCAJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.36
Rot. Bonds6

About N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide

N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide (PubChem CID 56708357) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
PubChem CID56708357
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2CCN(Cc3cccc(C#N)c3)C2)on1
InChIInChI=1S/C19H22N4O2/c1-2-17-9-18(25-22-17)19(24)21-11-16-6-7-23(13-16)12-15-5-3-4-14(8-15)10-20/h3-5,8-9,16H,2,6-7,11-13H2,1H3,(H,21,24)
InChIKeyFKWWEWHHLYVCAJ-UHFFFAOYSA-N
XLogP2.36
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95211193
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
N-[[(3S)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
CID 95230202
N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
CID 95230201
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782
3-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 56884257
6-[(3-cyanophenyl)methyl]-N-(cyclopropylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134807695
3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63251060
3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzonitrile
CID 58395433
3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 45242027
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
3-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]propanamide
CID 77083170

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide (CID 56708357) is N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)NCC2CCN(Cc3cccc(C#N)c3)C2)on1.
What is the InChIKey of N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The InChIKey is FKWWEWHHLYVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-17-9-18(25-22-17)19(24)21-11-16-6-7-23(13-16)12-15-5-3-4-14(8-15)10-20/h3-5,8-9,16H,2,6-7,11-13H2,1H3,(H,21,24).
What are the key properties of N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide?
N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56708357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).