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

C16H22N4O3 — CID 96512271

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3ccno3)C2)o1
InChIInChI=1S/C16H22N4O3/c1-3-14-8-17-16(22-14)11-20(12(2)21)13-5-7-19(9-13)10-15-4-6-18-23-15/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m0/s1
InChIKeyLDYLFFBRIBEDFA-ZDUSSCGKSA-N
MW318.38 g/mol
LogP1.85
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 96512271) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID96512271
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3ccno3)C2)o1
InChIInChI=1S/C16H22N4O3/c1-3-14-8-17-16(22-14)11-20(12(2)21)13-5-7-19(9-13)10-15-4-6-18-23-15/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m0/s1
InChIKeyLDYLFFBRIBEDFA-ZDUSSCGKSA-N
XLogP1.85
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide (CID 96512271) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3ccno3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is LDYLFFBRIBEDFA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-14-8-17-16(22-14)11-20(12(2)21)13-5-7-19(9-13)10-15-4-6-18-23-15/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 96512271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).