(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide

C14H15N3O3 — CID 7626363

IUPAC(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)[C@@H]1CCCO1
InChIInChI=1S/C14H15N3O3/c18-13-10-5-2-1-4-9(10)11(16-17-13)8-15-14(19)12-6-3-7-20-12/h1-2,4-5,12H,3,6-8H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyDQJKDZVXZQPZET-LBPRGKRZSA-N
MW273.29 g/mol
LogP0.72
Rot. Bonds3

About (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide

(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide (PubChem CID 7626363) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide
PubChem CID7626363
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)[C@@H]1CCCO1
InChIInChI=1S/C14H15N3O3/c18-13-10-5-2-1-4-9(10)11(16-17-13)8-15-14(19)12-6-3-7-20-12/h1-2,4-5,12H,3,6-8H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyDQJKDZVXZQPZET-LBPRGKRZSA-N
XLogP0.72
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749123
N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 35855214
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide (CID 7626363) is (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide is O=C(NCc1n[nH]c(=O)c2ccccc12)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide?
The InChIKey is DQJKDZVXZQPZET-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-10-5-2-1-4-9(10)11(16-17-13)8-15-14(19)12-6-3-7-20-12/h1-2,4-5,12H,3,6-8H2,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide?
(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 7626363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).