N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C23H22N6O3 — CID 166108925

IUPACN-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2cnc(N)nc2)nc1OC(C)C
InChIInChI=1S/C23H22N6O3/c1-13(2)31-22-18(10-9-17(28-22)16-11-25-23(24)26-12-16)27-21(30)19-14(3)32-29-20(19)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,30)(H2,24,25,26)
InChIKeyPOEUPKVTWJPXPN-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.12
Rot. Bonds6

About N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108925) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108925
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2cnc(N)nc2)nc1OC(C)C
InChIInChI=1S/C23H22N6O3/c1-13(2)31-22-18(10-9-17(28-22)16-11-25-23(24)26-12-16)27-21(30)19-14(3)32-29-20(19)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,30)(H2,24,25,26)
InChIKeyPOEUPKVTWJPXPN-UHFFFAOYSA-N
XLogP4.12
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166108669
N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108653
N-[6-[4-(aminomethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108645
N-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108834
4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
CID 175525447
N-[2-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108810
N-[2-methoxy-6-[6-(methylaminomethyl)-3-pyridinyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108874
N-[6-(6-aminopyridazin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108868
N-[6-[5-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108814
N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167182443
N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108709
N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108578

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108925) is N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2cnc(N)nc2)nc1OC(C)C.
What is the InChIKey of N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is POEUPKVTWJPXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-13(2)31-22-18(10-9-17(28-22)16-11-25-23(24)26-12-16)27-21(30)19-14(3)32-29-20(19)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,30)(H2,24,25,26).
What are the key properties of N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).