N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine

C17H20N4O2 — CID 75424091

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine
SMILESCc1noc(C(c2ccccc2)N(C)Cc2c(C)noc2C)n1
InChIInChI=1S/C17H20N4O2/c1-11-15(12(2)22-19-11)10-21(4)16(14-8-6-5-7-9-14)17-18-13(3)20-23-17/h5-9,16H,10H2,1-4H3
InChIKeyZGRHECVXOLIMSK-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.20
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine (PubChem CID 75424091) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine
PubChem CID75424091
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine
SMILESCc1noc(C(c2ccccc2)N(C)Cc2c(C)noc2C)n1
InChIInChI=1S/C17H20N4O2/c1-11-15(12(2)22-19-11)10-21(4)16(14-8-6-5-7-9-14)17-18-13(3)20-23-17/h5-9,16H,10H2,1-4H3
InChIKeyZGRHECVXOLIMSK-UHFFFAOYSA-N
XLogP3.20
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-phenylpropan-1-ol
CID 45231089
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 171328140
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 122120252
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378051
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethyl-3-phenylbutanamide
CID 86852790
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550
(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 95155397
1-[5-[[ethyl(methyl)amino]-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867041
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine (CID 75424091) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine is Cc1noc(C(c2ccccc2)N(C)Cc2c(C)noc2C)n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine?
The InChIKey is ZGRHECVXOLIMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-15(12(2)22-19-11)10-21(4)16(14-8-6-5-7-9-14)17-18-13(3)20-23-17/h5-9,16H,10H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine has a molecular weight of 312.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylmethanamine is sourced from PubChem (CID 75424091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).