N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine

C24H30N4O2 — CID 18439698

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine
SMILESCC(C)COc1cccc(-c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)o2)c1
InChIInChI=1S/C24H30N4O2/c1-18(2)17-29-22-6-4-5-19(15-22)23-16-25-24(30-23)26-20-7-9-21(10-8-20)28-13-11-27(3)12-14-28/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,25,26)
InChIKeyBSQXLWDBXSCKRO-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.87
Rot. Bonds7

About N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine (PubChem CID 18439698) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine
PubChem CID18439698
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine
SMILESCC(C)COc1cccc(-c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)o2)c1
InChIInChI=1S/C24H30N4O2/c1-18(2)17-29-22-6-4-5-19(15-22)23-16-25-24(30-23)26-20-7-9-21(10-8-20)28-13-11-27(3)12-14-28/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,25,26)
InChIKeyBSQXLWDBXSCKRO-UHFFFAOYSA-N
XLogP4.87
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2-methylpropoxy)phenyl]thiourea
CID 163203512
trimethyl-[2-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenoxy]ethyl]azanium
CID 156518203
1-ethyl-3-[4-(4-methylpiperazin-1-yl)anilino]-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590047
N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 134605229
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 10046054
7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 24801484
1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
CID 153409935
N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 17129734
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720
6-acetyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrano[2,3-d]pyrimidin-7-one
CID 151440366
1-methyl-N-[4-[3-(3-methylbutoxy)phenyl]-6-[4-(4-methylpiperazin-1-yl)phenoxy]pyrimidin-2-yl]pyrazole-4-sulfonamide
CID 170392918

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine (CID 18439698) is N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine is CC(C)COc1cccc(-c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)o2)c1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine?
The InChIKey is BSQXLWDBXSCKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18(2)17-29-22-6-4-5-19(15-22)23-16-25-24(30-23)26-20-7-9-21(10-8-20)28-13-11-27(3)12-14-28/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,25,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine has a molecular weight of 406.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 18439698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).