3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide

C16H21N5O3 — CID 155961614

IUPAC3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide
SMILESCOc1cc(CCC(=O)NC2(C)CCN(c3ncccn3)C2)on1
InChIInChI=1S/C16H21N5O3/c1-16(6-9-21(11-16)15-17-7-3-8-18-15)19-13(22)5-4-12-10-14(23-2)20-24-12/h3,7-8,10H,4-6,9,11H2,1-2H3,(H,19,22)
InChIKeyWDJKCFOVUVYXMT-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.19
Rot. Bonds6

About 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide

3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide (PubChem CID 155961614) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide
PubChem CID155961614
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide
SMILESCOc1cc(CCC(=O)NC2(C)CCN(c3ncccn3)C2)on1
InChIInChI=1S/C16H21N5O3/c1-16(6-9-21(11-16)15-17-7-3-8-18-15)19-13(22)5-4-12-10-14(23-2)20-24-12/h3,7-8,10H,4-6,9,11H2,1-2H3,(H,19,22)
InChIKeyWDJKCFOVUVYXMT-UHFFFAOYSA-N
XLogP1.19
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate
CID 133362806
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N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
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CID 92607910
(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
CID 98464322
(2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid
CID 75489463
3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide
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N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 46959436
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 124957412
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 110123987
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 110239241
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124983232

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide (CID 155961614) is 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide is COc1cc(CCC(=O)NC2(C)CCN(c3ncccn3)C2)on1.
What is the InChIKey of 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide?
The InChIKey is WDJKCFOVUVYXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-16(6-9-21(11-16)15-17-7-3-8-18-15)19-13(22)5-4-12-10-14(23-2)20-24-12/h3,7-8,10H,4-6,9,11H2,1-2H3,(H,19,22).
What are the key properties of 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide?
3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 155961614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).