N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide

C16H15N5O2 — CID 121112602

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C16H15N5O2/c1-12(23-14-5-3-2-4-6-14)15(22)20-13-9-18-16(19-10-13)21-8-7-17-11-21/h2-12H,1H3,(H,20,22)
InChIKeyOACZSPLKBQFNKJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.07
Rot. Bonds5

About N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide

N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide (PubChem CID 121112602) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide
PubChem CID121112602
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C16H15N5O2/c1-12(23-14-5-3-2-4-6-14)15(22)20-13-9-18-16(19-10-13)21-8-7-17-11-21/h2-12H,1H3,(H,20,22)
InChIKeyOACZSPLKBQFNKJ-UHFFFAOYSA-N
XLogP2.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide
CID 95985264
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
2-phenoxy-N-[4-[2-[4-(2-phenoxypropanoylamino)phenyl]pyrimidin-5-yl]phenyl]propanamide
CID 3884095
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
(2R)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenoxypropanamide
CID 30342927
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
CID 122300910
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide (CID 121112602) is N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1cnc(-n2ccnc2)nc1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide?
The InChIKey is OACZSPLKBQFNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-12(23-14-5-3-2-4-6-14)15(22)20-13-9-18-16(19-10-13)21-8-7-17-11-21/h2-12H,1H3,(H,20,22).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide has a molecular weight of 309.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide is sourced from PubChem (CID 121112602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).