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

C27H35N3O3 — CID 25132684

IUPACN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine
SMILESCC(C)Oc1cc(CN2CCC(Nc3nc(-c4ccccc4)co3)CC2)cc(OC(C)C)c1
InChIInChI=1S/C27H35N3O3/c1-19(2)32-24-14-21(15-25(16-24)33-20(3)4)17-30-12-10-23(11-13-30)28-27-29-26(18-31-27)22-8-6-5-7-9-22/h5-9,14-16,18-20,23H,10-13,17H2,1-4H3,(H,28,29)
InChIKeyNQNCUISTERGWPU-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.99
Rot. Bonds9

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

N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine (PubChem CID 25132684) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine
PubChem CID25132684
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine
SMILESCC(C)Oc1cc(CN2CCC(Nc3nc(-c4ccccc4)co3)CC2)cc(OC(C)C)c1
InChIInChI=1S/C27H35N3O3/c1-19(2)32-24-14-21(15-25(16-24)33-20(3)4)17-30-12-10-23(11-13-30)28-27-29-26(18-31-27)22-8-6-5-7-9-22/h5-9,14-16,18-20,23H,10-13,17H2,1-4H3,(H,28,29)
InChIKeyNQNCUISTERGWPU-UHFFFAOYSA-N
XLogP5.99
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine
CID 68784815
2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide
CID 66912229
8-[[3,5-di(propan-2-yloxy)phenyl]methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 25118089
2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 146134573
6-chloro-N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 87286611
1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis[5-(4-methoxyphenyl)pyrimidin-2-yl]-2-piperidin-4-ylhydrazine
CID 68963001
1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459229
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 106966826
1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
CID 75430820
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3230040
2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide
CID 171911394

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine (CID 25132684) is N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine is CC(C)Oc1cc(CN2CCC(Nc3nc(-c4ccccc4)co3)CC2)cc(OC(C)C)c1.
What is the InChIKey of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine?
The InChIKey is NQNCUISTERGWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-19(2)32-24-14-21(15-25(16-24)33-20(3)4)17-30-12-10-23(11-13-30)28-27-29-26(18-31-27)22-8-6-5-7-9-22/h5-9,14-16,18-20,23H,10-13,17H2,1-4H3,(H,28,29).
What are the key properties of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine?
N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine has a molecular weight of 449.60 g/mol, XLogP of 5.99, 9 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]-4-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 25132684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).