4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine

C12H12N4O — CID 117328775

IUPAC4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(C2=NCCO2)c1
InChIInChI=1S/C12H12N4O/c13-11-10(7-15-16-11)8-2-1-3-9(6-8)12-14-4-5-17-12/h1-3,6-7H,4-5H2,(H3,13,15,16)
InChIKeyXRLBHPVLKCESHI-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.44
Rot. Bonds2

About 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine

4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117328775) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
PubChem CID117328775
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(C2=NCCO2)c1
InChIInChI=1S/C12H12N4O/c13-11-10(7-15-16-11)8-2-1-3-9(6-8)12-14-4-5-17-12/h1-3,6-7H,4-5H2,(H3,13,15,16)
InChIKeyXRLBHPVLKCESHI-UHFFFAOYSA-N
XLogP1.44
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117328774
2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250784
5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117330160
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 139059691
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine
CID 84662651
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
CID 117293410
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine
CID 105488447
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923
4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
CID 117331143

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine (CID 117328775) is 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(C2=NCCO2)c1.
What is the InChIKey of 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is XRLBHPVLKCESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-11-10(7-15-16-11)8-2-1-3-9(6-8)12-14-4-5-17-12/h1-3,6-7H,4-5H2,(H3,13,15,16).
What are the key properties of 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine?
4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 228.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117328775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).