N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

C25H33N3O3 — CID 11848833

IUPACN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCC(C)Oc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC(C)C)c1
InChIInChI=1S/C25H33N3O3/c1-17(2)29-21-13-19(14-22(15-21)30-18(3)4)16-28-11-9-20(10-12-28)26-25-27-23-7-5-6-8-24(23)31-25/h5-8,13-15,17-18,20H,9-12,16H2,1-4H3,(H,26,27)
InChIKeyCXPKYGRXQJDDNM-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.48
Rot. Bonds8

About N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (PubChem CID 11848833) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
PubChem CID11848833
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCC(C)Oc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC(C)C)c1
InChIInChI=1S/C25H33N3O3/c1-17(2)29-21-13-19(14-22(15-21)30-18(3)4)16-28-11-9-20(10-12-28)26-25-27-23-7-5-6-8-24(23)31-25/h5-8,13-15,17-18,20H,9-12,16H2,1-4H3,(H,26,27)
InChIKeyCXPKYGRXQJDDNM-UHFFFAOYSA-N
XLogP5.48
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
CID 6420159
Oxadimedine
CID 167465
Ethyl 3-phenyl-2-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]propanoate
CID 44383735
1-Piperidinecarboxamide, 4-(2-benzoxazolyl)-N-(2-methoxyphenyl)-
CID 1429829
N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine
CID 10064642
N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10428758
2-(3-((Benzo[d]oxazol-2-yl(3-phenoxypropyl)amino)methyl)phenoxy)butanoic acid
CID 11397018
2-(3-((Benzo[d]oxazol-2-yl(3-phenoxypropyl)amino)methyl)phenoxy)propanoic acid
CID 11419459
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 11848624
N-(1-(3-ethoxy-5-(tetrahydro-2H-pyran-4-yloxy)benzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 11848625
N-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 11848626
2-(1-(4-Amino-3,5-diethoxybenzyl)piperidin-4-ylamino)benzo[d]oxazole-5-sulfonamide
CID 11848679

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (CID 11848833) is N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is CC(C)Oc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC(C)C)c1.
What is the InChIKey of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The InChIKey is CXPKYGRXQJDDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-17(2)29-21-13-19(14-22(15-21)30-18(3)4)16-28-11-9-20(10-12-28)26-25-27-23-7-5-6-8-24(23)31-25/h5-8,13-15,17-18,20H,9-12,16H2,1-4H3,(H,26,27).
What are the key properties of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine has a molecular weight of 423.56 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 11848833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).