N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C20H17N5O2 — CID 122298037

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cn1
InChIInChI=1S/C20H17N5O2/c1-25(2)20-21-11-15(12-22-20)23-19(26)14-8-9-17-16(10-14)18(27-24-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,26)
InChIKeyUNGBEEQLAIJZTO-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 122298037) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID122298037
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cn1
InChIInChI=1S/C20H17N5O2/c1-25(2)20-21-11-15(12-22-20)23-19(26)14-8-9-17-16(10-14)18(27-24-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,26)
InChIKeyUNGBEEQLAIJZTO-UHFFFAOYSA-N
XLogP3.60
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide
CID 122300728
N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71895533
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 119101340
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 41274144
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9451735
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548
N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350554

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 122298037) is N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide is CN(C)c1ncc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cn1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is UNGBEEQLAIJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25(2)20-21-11-15(12-22-20)23-19(26)14-8-9-17-16(10-14)18(27-24-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 122298037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).