N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide

C18H20N4O2 — CID 167875518

IUPACN-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide
SMILESCc1cnc(C2(NC(=O)c3cc4ccccn4c3)CCOCC2)[nH]1
InChIInChI=1S/C18H20N4O2/c1-13-11-19-17(20-13)18(5-8-24-9-6-18)21-16(23)14-10-15-4-2-3-7-22(15)12-14/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,20)(H,21,23)
InChIKeyMATXTAJMMWSVBD-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.41
Rot. Bonds3

About N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide

N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide (PubChem CID 167875518) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide
PubChem CID167875518
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide
SMILESCc1cnc(C2(NC(=O)c3cc4ccccn4c3)CCOCC2)[nH]1
InChIInChI=1S/C18H20N4O2/c1-13-11-19-17(20-13)18(5-8-24-9-6-18)21-16(23)14-10-15-4-2-3-7-22(15)12-14/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,20)(H,21,23)
InChIKeyMATXTAJMMWSVBD-UHFFFAOYSA-N
XLogP2.41
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide?
The IUPAC name of N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide (CID 167875518) is N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide?
The canonical SMILES for N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide is Cc1cnc(C2(NC(=O)c3cc4ccccn4c3)CCOCC2)[nH]1.
What is the InChIKey of N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide?
The InChIKey is MATXTAJMMWSVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-11-19-17(20-13)18(5-8-24-9-6-18)21-16(23)14-10-15-4-2-3-7-22(15)12-14/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide?
N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide is sourced from PubChem (CID 167875518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).