2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide

C19H21N5O2 — CID 122317899

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)Cc2noc3ccccc23)n1
InChIInChI=1S/C19H21N5O2/c1-13-10-18(24-8-4-5-9-24)22-17(21-13)12-20-19(25)11-15-14-6-2-3-7-16(14)26-23-15/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H,20,25)
InChIKeyMQZVLBISLROEKT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.39
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 122317899) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
PubChem CID122317899
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)Cc2noc3ccccc23)n1
InChIInChI=1S/C19H21N5O2/c1-13-10-18(24-8-4-5-9-24)22-17(21-13)12-20-19(25)11-15-14-6-2-3-7-16(14)26-23-15/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H,20,25)
InChIKeyMQZVLBISLROEKT-UHFFFAOYSA-N
XLogP2.39
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide 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

2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253589
2-(1,2-benzoxazol-3-yl)-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50944530
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122318020
1-(2-ethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318115
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122317839
1-(1,2-benzoxazol-3-yl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295064
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122317914
2-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122318233
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122317676

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide (CID 122317899) is 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide is Cc1cc(N2CCCC2)nc(CNC(=O)Cc2noc3ccccc23)n1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is MQZVLBISLROEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-10-18(24-8-4-5-9-24)22-17(21-13)12-20-19(25)11-15-14-6-2-3-7-16(14)26-23-15/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H,20,25).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 122317899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).