N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

C22H22N4O2 — CID 172779614

IUPACN-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCC1C(CNC(=O)c2cccn3ccnc23)=NOC1C1(c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c1-15-18(14-24-21(27)17-8-5-12-26-13-11-23-20(17)26)25-28-19(15)22(9-10-22)16-6-3-2-4-7-16/h2-8,11-13,15,19H,9-10,14H2,1H3,(H,24,27)
InChIKeyOBQOOGQCUBGDLN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.19
Rot. Bonds5

About N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 172779614) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID172779614
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCC1C(CNC(=O)c2cccn3ccnc23)=NOC1C1(c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c1-15-18(14-24-21(27)17-8-5-12-26-13-11-23-20(17)26)25-28-19(15)22(9-10-22)16-6-3-2-4-7-16/h2-8,11-13,15,19H,9-10,14H2,1H3,(H,24,27)
InChIKeyOBQOOGQCUBGDLN-UHFFFAOYSA-N
XLogP3.19
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 172779614) is N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide is CC1C(CNC(=O)c2cccn3ccnc23)=NOC1C1(c2ccccc2)CC1.
What is the InChIKey of N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is OBQOOGQCUBGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-18(14-24-21(27)17-8-5-12-26-13-11-23-20(17)26)25-28-19(15)22(9-10-22)16-6-3-2-4-7-16/h2-8,11-13,15,19H,9-10,14H2,1H3,(H,24,27).
What are the key properties of N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-5-(1-phenylcyclopropyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 172779614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).