N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide

C18H19N3O3 — CID 45165954

IUPACN-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1Cc2cccc(-c3cncnc3)c2O1)C1CCCO1
InChIInChI=1S/C18H19N3O3/c22-18(16-5-2-6-23-16)21-10-14-7-12-3-1-4-15(17(12)24-14)13-8-19-11-20-9-13/h1,3-4,8-9,11,14,16H,2,5-7,10H2,(H,21,22)
InChIKeySVMQOXLJYYUHJD-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.74
Rot. Bonds4

About N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide

N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 45165954) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide
PubChem CID45165954
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1Cc2cccc(-c3cncnc3)c2O1)C1CCCO1
InChIInChI=1S/C18H19N3O3/c22-18(16-5-2-6-23-16)21-10-14-7-12-3-1-4-15(17(12)24-14)13-8-19-11-20-9-13/h1,3-4,8-9,11,14,16H,2,5-7,10H2,(H,21,22)
InChIKeySVMQOXLJYYUHJD-UHFFFAOYSA-N
XLogP1.74
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 126467458
(1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 26346196
3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
CID 26359145
1-methyl-N-[[(2S)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42434784
2-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]butanamide
CID 45206858
2,4,5-trifluoro-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165731
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-4-enamide
CID 126467343
methyl 3-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamoyl]benzoate
CID 45234496
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 45242280
3-(3-methylphenyl)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42246342
5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
CID 45175739
(2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
CID 26322064

Frequently Asked Questions

What is the IUPAC name of N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide (CID 45165954) is N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide is O=C(NCC1Cc2cccc(-c3cncnc3)c2O1)C1CCCO1.
What is the InChIKey of N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is SVMQOXLJYYUHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18(16-5-2-6-23-16)21-10-14-7-12-3-1-4-15(17(12)24-14)13-8-19-11-20-9-13/h1,3-4,8-9,11,14,16H,2,5-7,10H2,(H,21,22).
What are the key properties of N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide?
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 45165954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).