N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide

C19H19N5O3 — CID 122312470

IUPACN-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
SMILESCc1nccn1-c1cc(Oc2ccc(NC(=O)C3CCOC3)cc2)ncn1
InChIInChI=1S/C19H19N5O3/c1-13-20-7-8-24(13)17-10-18(22-12-21-17)27-16-4-2-15(3-5-16)23-19(25)14-6-9-26-11-14/h2-5,7-8,10,12,14H,6,9,11H2,1H3,(H,23,25)
InChIKeyNUYVFMREFGKEPR-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.74
Rot. Bonds5

About N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide

N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide (PubChem CID 122312470) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
PubChem CID122312470
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
SMILESCc1nccn1-c1cc(Oc2ccc(NC(=O)C3CCOC3)cc2)ncn1
InChIInChI=1S/C19H19N5O3/c1-13-20-7-8-24(13)17-10-18(22-12-21-17)27-16-4-2-15(3-5-16)23-19(25)14-6-9-26-11-14/h2-5,7-8,10,12,14H,6,9,11H2,1H3,(H,23,25)
InChIKeyNUYVFMREFGKEPR-UHFFFAOYSA-N
XLogP2.74
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide
CID 122291873
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312229
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312439
2-iodo-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312575
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide
CID 122312491
1-(2,3-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312308
(E)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-phenylprop-2-enamide
CID 122312260
(E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 122312280
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]oxolane-3-carboxamide
CID 122304865

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide (CID 122312470) is N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide is Cc1nccn1-c1cc(Oc2ccc(NC(=O)C3CCOC3)cc2)ncn1.
What is the InChIKey of N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide?
The InChIKey is NUYVFMREFGKEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13-20-7-8-24(13)17-10-18(22-12-21-17)27-16-4-2-15(3-5-16)23-19(25)14-6-9-26-11-14/h2-5,7-8,10,12,14H,6,9,11H2,1H3,(H,23,25).
What are the key properties of N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide?
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide is sourced from PubChem (CID 122312470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).