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

C17H25N5O2 — CID 71928332

IUPACN-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C17H25N5O2/c1-12(2)15-8-20-17(24-15)11-22(13(3)23)14-4-7-21(9-14)10-16-18-5-6-19-16/h5-6,8,12,14H,4,7,9-11H2,1-3H3,(H,18,19)
InChIKeyPBMINLXSQFVKAX-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.14
Rot. Bonds6

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

N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71928332) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71928332
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C17H25N5O2/c1-12(2)15-8-20-17(24-15)11-22(13(3)23)14-4-7-21(9-14)10-16-18-5-6-19-16/h5-6,8,12,14H,4,7,9-11H2,1-3H3,(H,18,19)
InChIKeyPBMINLXSQFVKAX-UHFFFAOYSA-N
XLogP2.14
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (CID 71928332) is N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(Cc2ncc[nH]2)C1.
What is the InChIKey of N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is PBMINLXSQFVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)15-8-20-17(24-15)11-22(13(3)23)14-4-7-21(9-14)10-16-18-5-6-19-16/h5-6,8,12,14H,4,7,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71928332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).