N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide

C16H23N5O2 — CID 97217475

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C16H23N5O2/c1-3-14-8-19-16(23-14)11-21(12(2)22)13-4-7-20(9-13)10-15-17-5-6-18-15/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyLTRPWWPAZVHXMD-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.58
Rot. Bonds6

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 97217475) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID97217475
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C16H23N5O2/c1-3-14-8-19-16(23-14)11-21(12(2)22)13-4-7-20(9-13)10-15-17-5-6-18-15/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyLTRPWWPAZVHXMD-CYBMUJFWSA-N
XLogP1.58
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
CID 96512271
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872509
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
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N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 71872501
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 71871794
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
CID 75373805
N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 97018897
N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 154801217
N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 97008269
3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide
CID 96512219
N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 97008260
N-[(4S,5S)-5-hydroxy-1-(1H-imidazol-2-ylmethyl)azepan-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide (CID 97217475) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3ncc[nH]3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is LTRPWWPAZVHXMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-14-8-19-16(23-14)11-21(12(2)22)13-4-7-20(9-13)10-15-17-5-6-18-15/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97217475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).