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

C18H26N4O3 — CID 71928340

IUPACN-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(Cc2cc(C)no2)C1
InChIInChI=1S/C18H26N4O3/c1-12(2)17-8-19-18(24-17)11-22(14(4)23)15-5-6-21(9-15)10-16-7-13(3)20-25-16/h7-8,12,15H,5-6,9-11H2,1-4H3
InChIKeyCBOQRBDPVZFVHB-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.72
Rot. Bonds6

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

N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71928340) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71928340
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(Cc2cc(C)no2)C1
InChIInChI=1S/C18H26N4O3/c1-12(2)17-8-19-18(24-17)11-22(14(4)23)15-5-6-21(9-15)10-16-7-13(3)20-25-16/h7-8,12,15H,5-6,9-11H2,1-4H3
InChIKeyCBOQRBDPVZFVHB-UHFFFAOYSA-N
XLogP2.72
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (CID 71928340) is N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]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(Cc2cc(C)no2)C1.
What is the InChIKey of N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is CBOQRBDPVZFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(2)17-8-19-18(24-17)11-22(14(4)23)15-5-6-21(9-15)10-16-7-13(3)20-25-16/h7-8,12,15H,5-6,9-11H2,1-4H3.
What are the key properties of N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71928340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).