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

C16H21N3O — CID 120966206

IUPACN-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
SMILESCNC1CCN(Cc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C16H21N3O/c1-17-14-7-9-19(10-8-14)12-15-11-16(20-18-15)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10,12H2,1H3
InChIKeyITIBBRKWRQSSLR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.53
Rot. Bonds4

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

N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine (PubChem CID 120966206) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
PubChem CID120966206
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
SMILESCNC1CCN(Cc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C16H21N3O/c1-17-14-7-9-19(10-8-14)12-15-11-16(20-18-15)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10,12H2,1H3
InChIKeyITIBBRKWRQSSLR-UHFFFAOYSA-N
XLogP2.53
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 104977337
2-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111020105
5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 8616101
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812787
3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 8972159
[3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967303
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 120966966
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine (CID 120966206) is N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine is CNC1CCN(Cc2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is ITIBBRKWRQSSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-14-7-9-19(10-8-14)12-15-11-16(20-18-15)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10,12H2,1H3.
What are the key properties of N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 120966206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).