N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide

C22H25N5O2 — CID 16682111

IUPACN-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(-c2cc(C(=O)NCc3ccccc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C22H25N5O2/c1-14(2)17-10-18(26-22(25-17)24-13-16-8-9-16)19-11-20(29-27-19)21(28)23-12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKeyMHDIEQPMPLCUOU-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.01
Rot. Bonds8

About N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide

N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 16682111) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID16682111
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(-c2cc(C(=O)NCc3ccccc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C22H25N5O2/c1-14(2)17-10-18(26-22(25-17)24-13-16-8-9-16)19-11-20(29-27-19)21(28)23-12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKeyMHDIEQPMPLCUOU-UHFFFAOYSA-N
XLogP4.01
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide (CID 16682111) is N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide is CC(C)c1cc(-c2cc(C(=O)NCc3ccccc3)on2)nc(NCC2CC2)n1.
What is the InChIKey of N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is MHDIEQPMPLCUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(2)17-10-18(26-22(25-17)24-13-16-8-9-16)19-11-20(29-27-19)21(28)23-12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,23,28)(H,24,25,26).
What are the key properties of N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(cyclopropylmethylamino)-6-propan-2-ylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16682111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).