N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H17N7O3 — CID 166108653

IUPACN-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cnc(N)nc2)ncc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H17N7O3/c1-11-15(16(27-30-11)12-6-4-3-5-7-12)18(28)25-14-10-22-17(26-19(14)29-2)13-8-23-20(21)24-9-13/h3-10H,1-2H3,(H,25,28)(H2,21,23,24)
InChIKeyXRZQMHABBWYGNQ-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108653) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108653
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC NameN-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cnc(N)nc2)ncc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H17N7O3/c1-11-15(16(27-30-11)12-6-4-3-5-7-12)18(28)25-14-10-22-17(26-19(14)29-2)13-8-23-20(21)24-9-13/h3-10H,1-2H3,(H,25,28)(H2,21,23,24)
InChIKeyXRZQMHABBWYGNQ-UHFFFAOYSA-N
XLogP2.74
TPSA141.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108925
N-[6-(6-aminopyridazin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108868
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-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-[4-(aminomethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108645
N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4035608
N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167182443
N-[6-[5-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108814
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108653) is N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2cnc(N)nc2)ncc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XRZQMHABBWYGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-11-15(16(27-30-11)12-6-4-3-5-7-12)18(28)25-14-10-22-17(26-19(14)29-2)13-8-23-20(21)24-9-13/h3-10H,1-2H3,(H,25,28)(H2,21,23,24).
What are the key properties of N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).