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

C12H19N3O2 — CID 63716443

IUPACN,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)C2CNCC2C)no1
InChIInChI=1S/C12H19N3O2/c1-8-5-13-6-11(8)12(16)15(3)7-10-4-9(2)17-14-10/h4,8,11,13H,5-7H2,1-3H3
InChIKeyHALMXIKPPGRIFS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds3

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

N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 63716443) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID63716443
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)C2CNCC2C)no1
InChIInChI=1S/C12H19N3O2/c1-8-5-13-6-11(8)12(16)15(3)7-10-4-9(2)17-14-10/h4,8,11,13H,5-7H2,1-3H3
InChIKeyHALMXIKPPGRIFS-UHFFFAOYSA-N
XLogP0.80
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93320943
(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 98540715
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64822535
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729303
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94815781
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535
(3S,4S)-N-benzyl-N,4-dimethylpyrrolidine-3-carboxamide
CID 98541238
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 63714960
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63716496
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292510
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-2-carboxamide
CID 64561642
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890726

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide (CID 63716443) is N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide is Cc1cc(CN(C)C(=O)C2CNCC2C)no1.
What is the InChIKey of N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is HALMXIKPPGRIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-5-13-6-11(8)12(16)15(3)7-10-4-9(2)17-14-10/h4,8,11,13H,5-7H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?
N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63716443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).