N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide

C19H21N5O2 — CID 16682194

IUPACN-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1
InChIInChI=1S/C19H21N5O2/c1-3-9-20-19-22-13(2)10-15(23-19)16-11-17(26-24-16)18(25)21-12-14-7-5-4-6-8-14/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyVVIVTLLEYMVTFM-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.19
Rot. Bonds7

About N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide

N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 16682194) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID16682194
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1
InChIInChI=1S/C19H21N5O2/c1-3-9-20-19-22-13(2)10-15(23-19)16-11-17(26-24-16)18(25)21-12-14-7-5-4-6-8-14/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyVVIVTLLEYMVTFM-UHFFFAOYSA-N
XLogP3.19
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-ethyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677902
5-(2,4-difluorophenyl)-N-[(3S,4S)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677926
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-propan-2-yl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677990
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-propyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677991
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145450383
US11306078, Example 4.102
CID 141677910
N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxamide
CID 850407
N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine
CID 16682033
N-benzyl-3-[2-(cyclopropylmethylamino)-6-isopropyl-pyrimidin-4-yl]isoxazole-5-carboxamide
CID 16682111
N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide
CID 16682118

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide (CID 16682194) is N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide is CCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1.
What is the InChIKey of N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is VVIVTLLEYMVTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-9-20-19-22-13(2)10-15(23-19)16-11-17(26-24-16)18(25)21-12-14-7-5-4-6-8-14/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[6-methyl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16682194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).