1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol

C15H18F2N2O3 — CID 110901978

IUPAC1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(C)CC(O)c2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C15H18F2N2O3/c1-10-7-12(18-22-10)8-19(2)9-14(20)11-3-5-13(6-4-11)21-15(16)17/h3-7,14-15,20H,8-9H2,1-2H3
InChIKeyYYWFWUSDCPQCHZ-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.75
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol

1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol (PubChem CID 110901978) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
PubChem CID110901978
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(C)CC(O)c2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C15H18F2N2O3/c1-10-7-12(18-22-10)8-19(2)9-14(20)11-3-5-13(6-4-11)21-15(16)17/h3-7,14-15,20H,8-9H2,1-2H3
InChIKeyYYWFWUSDCPQCHZ-UHFFFAOYSA-N
XLogP2.75
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 97004833
(1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 97004834
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 111114250
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
N-methyl-1-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 36967982
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 134038345
N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
CID 110901959
(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124799203
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]methanol
CID 110008128

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol (CID 110901978) is 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol is Cc1cc(CN(C)CC(O)c2ccc(OC(F)F)cc2)no1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol?
The InChIKey is YYWFWUSDCPQCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-10-7-12(18-22-10)8-19(2)9-14(20)11-3-5-13(6-4-11)21-15(16)17/h3-7,14-15,20H,8-9H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol?
1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol has a molecular weight of 312.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 110901978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).