N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide

C20H22N4O3 — CID 175342460

IUPACN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)CCC4CNCCO4)cc3c2)o1
InChIInChI=1S/C20H22N4O3/c1-13-22-12-18(27-13)14-2-3-15-10-23-19(9-16(15)8-14)24-20(25)5-4-17-11-21-6-7-26-17/h2-3,8-10,12,17,21H,4-7,11H2,1H3,(H,23,24,25)
InChIKeyMPRXRVRMERKVGL-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.91
Rot. Bonds5

About N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide

N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide (PubChem CID 175342460) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide.

Molecular Properties

Compound NameN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide
PubChem CID175342460
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)CCC4CNCCO4)cc3c2)o1
InChIInChI=1S/C20H22N4O3/c1-13-22-12-18(27-13)14-2-3-15-10-23-19(9-16(15)8-14)24-20(25)5-4-17-11-21-6-7-26-17/h2-3,8-10,12,17,21H,4-7,11H2,1H3,(H,23,24,25)
InChIKeyMPRXRVRMERKVGL-UHFFFAOYSA-N
XLogP2.91
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559188
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
(1R,5S)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580317
4-(2-methoxyethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559234
N-(4-methyl-2-pyridinyl)-2-morpholin-2-ylacetamide
CID 66434156
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119704502
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylpropanamide
CID 138590073
1-morpholin-2-yl-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 149177727
N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-3-morpholin-4-ylpropanamide
CID 138587836
N-[[4-(2,2-difluoroethylamino)cyclohexyl]methyl]-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-amine
CID 138580127
1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 158638377
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-2-piperidin-1-ylacetamide
CID 138590602

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide?
The IUPAC name of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide (CID 175342460) is N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide.
What is the SMILES notation for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide?
The canonical SMILES for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide is Cc1ncc(-c2ccc3cnc(NC(=O)CCC4CNCCO4)cc3c2)o1.
What is the InChIKey of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide?
The InChIKey is MPRXRVRMERKVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-22-12-18(27-13)14-2-3-15-10-23-19(9-16(15)8-14)24-20(25)5-4-17-11-21-6-7-26-17/h2-3,8-10,12,17,21H,4-7,11H2,1H3,(H,23,24,25).
What are the key properties of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide?
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide has a molecular weight of 366.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide is sourced from PubChem (CID 175342460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).