N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide

C17H25N5O3 — CID 71873074

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide
SMILESCC(C)c1n[nH]c(C2CN(CC(=O)N(C)Cc3ccco3)CCO2)n1
InChIInChI=1S/C17H25N5O3/c1-12(2)16-18-17(20-19-16)14-10-22(6-8-25-14)11-15(23)21(3)9-13-5-4-7-24-13/h4-5,7,12,14H,6,8-11H2,1-3H3,(H,18,19,20)
InChIKeyOUJWDEQCCWFFII-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.55
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide

N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide (PubChem CID 71873074) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide
PubChem CID71873074
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide
SMILESCC(C)c1n[nH]c(C2CN(CC(=O)N(C)Cc3ccco3)CCO2)n1
InChIInChI=1S/C17H25N5O3/c1-12(2)16-18-17(20-19-16)14-10-22(6-8-25-14)11-15(23)21(3)9-13-5-4-7-24-13/h4-5,7,12,14H,6,8-11H2,1-3H3,(H,18,19,20)
InChIKeyOUJWDEQCCWFFII-UHFFFAOYSA-N
XLogP1.55
TPSA87.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide (CID 71873074) is N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide is CC(C)c1n[nH]c(C2CN(CC(=O)N(C)Cc3ccco3)CCO2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide?
The InChIKey is OUJWDEQCCWFFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12(2)16-18-17(20-19-16)14-10-22(6-8-25-14)11-15(23)21(3)9-13-5-4-7-24-13/h4-5,7,12,14H,6,8-11H2,1-3H3,(H,18,19,20).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide is sourced from PubChem (CID 71873074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).