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

C12H19N3O3 — CID 103832982

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2nc(C)c(C)o2)C1
InChIInChI=1S/C12H19N3O3/c1-7-8(2)18-11(15-7)6-14-12(16)10-4-9(17-3)5-13-10/h9-10,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyBCOLGACKUBRRMV-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.28
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 103832982) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID103832982
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2nc(C)c(C)o2)C1
InChIInChI=1S/C12H19N3O3/c1-7-8(2)18-11(15-7)6-14-12(16)10-4-9(17-3)5-13-10/h9-10,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyBCOLGACKUBRRMV-UHFFFAOYSA-N
XLogP0.28
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
4-methoxy-N-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 106417108
methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274724
4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 106896215
4-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 106397734
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 113264029
4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 63240196
N-[(4-cyanophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215075
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 112669300
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide (CID 103832982) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NCc2nc(C)c(C)o2)C1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is BCOLGACKUBRRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-8(2)18-11(15-7)6-14-12(16)10-4-9(17-3)5-13-10/h9-10,13H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 103832982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).