N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C18H20N4O3 — CID 146121769

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1noc(C)c1C(C)CNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H20N4O3/c1-10(17-11(2)22-25-12(17)3)9-19-16(23)8-15-13-6-4-5-7-14(13)18(24)21-20-15/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,24)
InChIKeyBKPFYOLWIAJRCD-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 146121769) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID146121769
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1noc(C)c1C(C)CNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H20N4O3/c1-10(17-11(2)22-25-12(17)3)9-19-16(23)8-15-13-6-4-5-7-14(13)18(24)21-20-15/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,24)
InChIKeyBKPFYOLWIAJRCD-UHFFFAOYSA-N
XLogP1.99
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110734385
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
2-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-oxopropyl]benzoic acid
CID 120552321
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 27770013
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
CID 171138517
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2558717

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 146121769) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is Cc1noc(C)c1C(C)CNC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is BKPFYOLWIAJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10(17-11(2)22-25-12(17)3)9-19-16(23)8-15-13-6-4-5-7-14(13)18(24)21-20-15/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,24).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 146121769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).