N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine

C14H14N4O — CID 106373414

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine
SMILESCCc1cnc(CNc2nncc3ccccc23)o1
InChIInChI=1S/C14H14N4O/c1-2-11-8-15-13(19-11)9-16-14-12-6-4-3-5-10(12)7-17-18-14/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyULFWHDAOJURJPT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.79
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine (PubChem CID 106373414) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine
PubChem CID106373414
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine
SMILESCCc1cnc(CNc2nncc3ccccc23)o1
InChIInChI=1S/C14H14N4O/c1-2-11-8-15-13(19-11)9-16-14-12-6-4-3-5-10(12)7-17-18-14/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyULFWHDAOJURJPT-UHFFFAOYSA-N
XLogP2.79
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine
CID 63306439
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine
CID 114180765
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 106371995
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
2-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methylpyrimidine-4,5-diamine
CID 106369366

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine (CID 106373414) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine is CCc1cnc(CNc2nncc3ccccc23)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine?
The InChIKey is ULFWHDAOJURJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-11-8-15-13(19-11)9-16-14-12-6-4-3-5-10(12)7-17-18-14/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine has a molecular weight of 254.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine is sourced from PubChem (CID 106373414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).