(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

C19H22N4O3 — CID 99947725

IUPAC(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCC(C)Cc1cc(CNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc23)on1
InChIInChI=1S/C19H22N4O3/c1-11(2)8-13-9-14(26-23-13)10-20-18(24)12(3)17-15-6-4-5-7-16(15)19(25)22-21-17/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,24)(H,22,25)/t12-/m1/s1
InChIKeyQFZJIYIJRQQSGW-GFCCVEGCSA-N
MW354.41 g/mol
LogP2.53
Rot. Bonds6

About (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (PubChem CID 99947725) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
PubChem CID99947725
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCC(C)Cc1cc(CNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc23)on1
InChIInChI=1S/C19H22N4O3/c1-11(2)8-13-9-14(26-23-13)10-20-18(24)12(3)17-15-6-4-5-7-16(15)19(25)22-21-17/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,24)(H,22,25)/t12-/m1/s1
InChIKeyQFZJIYIJRQQSGW-GFCCVEGCSA-N
XLogP2.53
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99955784
(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 126430973
(2R)-2-(4-oxo-3H-phthalazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 124751816
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 131907820
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97186769
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyridin-3-ylacetamide
CID 91770070
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99928932
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
(2S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99933785
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 77085866
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (CID 99947725) is (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is CC(C)Cc1cc(CNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc23)on1.
What is the InChIKey of (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The InChIKey is QFZJIYIJRQQSGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11(2)8-13-9-14(26-23-13)10-20-18(24)12(3)17-15-6-4-5-7-16(15)19(25)22-21-17/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,24)(H,22,25)/t12-/m1/s1.
What are the key properties of (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is sourced from PubChem (CID 99947725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).