N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide

C13H21N3O2 — CID 103826095

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2nc(C)c(C)o2)CCNC1
InChIInChI=1S/C13H21N3O2/c1-4-13(5-6-14-8-13)12(17)15-7-11-16-9(2)10(3)18-11/h14H,4-8H2,1-3H3,(H,15,17)
InChIKeyHANDOTBVFOFQOF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 103826095) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID103826095
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2nc(C)c(C)o2)CCNC1
InChIInChI=1S/C13H21N3O2/c1-4-13(5-6-14-8-13)12(17)15-7-11-16-9(2)10(3)18-11/h14H,4-8H2,1-3H3,(H,15,17)
InChIKeyHANDOTBVFOFQOF-UHFFFAOYSA-N
XLogP1.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 106372330
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 106375738
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 55167016
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65487379
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 114183577

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide (CID 103826095) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NCc2nc(C)c(C)o2)CCNC1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is HANDOTBVFOFQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(5-6-14-8-13)12(17)15-7-11-16-9(2)10(3)18-11/h14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103826095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).