2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide

C13H21N3O2 — CID 124574512

IUPAC2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCCCN(C(=O)c1oc(C)nc1C)[C@@H]1CCNC1
InChIInChI=1S/C13H21N3O2/c1-4-7-16(11-5-6-14-8-11)13(17)12-9(2)15-10(3)18-12/h11,14H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyAYWUMQHAWRDBCO-LLVKDONJSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds4

About 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 124574512) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID124574512
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCCCN(C(=O)c1oc(C)nc1C)[C@@H]1CCNC1
InChIInChI=1S/C13H21N3O2/c1-4-7-16(11-5-6-14-8-11)13(17)12-9(2)15-10(3)18-12/h11,14H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyAYWUMQHAWRDBCO-LLVKDONJSA-N
XLogP1.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119532322
5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119532219
7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 119530695
3,5-dimethyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823817
4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533114
3,6-dimethyl-N-propyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119531516
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 167918992
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532106

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (CID 124574512) is 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is CCCN(C(=O)c1oc(C)nc1C)[C@@H]1CCNC1.
What is the InChIKey of 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is AYWUMQHAWRDBCO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-7-16(11-5-6-14-8-11)13(17)12-9(2)15-10(3)18-12/h11,14H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 124574512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).