N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide

C16H22N4O2 — CID 47011082

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(NC(=O)CCN2CCCC2c2cccn2C)no1
InChIInChI=1S/C16H22N4O2/c1-12-11-15(18-22-12)17-16(21)7-10-20-9-4-6-14(20)13-5-3-8-19(13)2/h3,5,8,11,14H,4,6-7,9-10H2,1-2H3,(H,17,18,21)
InChIKeyNQUCHSFJFOKDBE-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.49
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide (PubChem CID 47011082) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
PubChem CID47011082
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(NC(=O)CCN2CCCC2c2cccn2C)no1
InChIInChI=1S/C16H22N4O2/c1-12-11-15(18-22-12)17-16(21)7-10-20-9-4-6-14(20)13-5-3-8-19(13)2/h3,5,8,11,14H,4,6-7,9-10H2,1-2H3,(H,17,18,21)
InChIKeyNQUCHSFJFOKDBE-UHFFFAOYSA-N
XLogP2.49
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95569827
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17441509
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95609321
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975070
2-(2-benzylpyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47019562
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32745635
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17434998
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95346785

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide (CID 47011082) is N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide is Cc1cc(NC(=O)CCN2CCCC2c2cccn2C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is NQUCHSFJFOKDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-11-15(18-22-12)17-16(21)7-10-20-9-4-6-14(20)13-5-3-8-19(13)2/h3,5,8,11,14H,4,6-7,9-10H2,1-2H3,(H,17,18,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 47011082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).