[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

C18H24N4O2 — CID 124995807

IUPAC[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCNc1cc([C@H]2CCCN2C(=O)c2c(C(C)C)noc2C)ccn1
InChIInChI=1S/C18H24N4O2/c1-11(2)17-16(12(3)24-21-17)18(23)22-9-5-6-14(22)13-7-8-20-15(10-13)19-4/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyQOPZYTHTOAEADL-CQSZACIVSA-N
MW328.42 g/mol
LogP3.52
Rot. Bonds4

About [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 124995807) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID124995807
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCNc1cc([C@H]2CCCN2C(=O)c2c(C(C)C)noc2C)ccn1
InChIInChI=1S/C18H24N4O2/c1-11(2)17-16(12(3)24-21-17)18(23)22-9-5-6-14(22)13-7-8-20-15(10-13)19-4/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyQOPZYTHTOAEADL-CQSZACIVSA-N
XLogP3.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110104434
3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110105582
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124948233
[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 92617256
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023544
1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 127246757
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592
1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110105585
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 124995807) is [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is CNc1cc([C@H]2CCCN2C(=O)c2c(C(C)C)noc2C)ccn1.
What is the InChIKey of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is QOPZYTHTOAEADL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)17-16(12(3)24-21-17)18(23)22-9-5-6-14(22)13-7-8-20-15(10-13)19-4/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,19,20)/t14-/m1/s1.
What are the key properties of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 124995807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).