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

C16H21ClN2O2 — CID 63057024

IUPACN-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(COc2ccc(CNC(C)(C)C)cc2Cl)no1
InChIInChI=1S/C16H21ClN2O2/c1-11-7-13(19-21-11)10-20-15-6-5-12(8-14(15)17)9-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3
InChIKeyQSPVUYZYMBGOJH-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.10
Rot. Bonds5

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

N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63057024) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63057024
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(COc2ccc(CNC(C)(C)C)cc2Cl)no1
InChIInChI=1S/C16H21ClN2O2/c1-11-7-13(19-21-11)10-20-15-6-5-12(8-14(15)17)9-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3
InChIKeyQSPVUYZYMBGOJH-UHFFFAOYSA-N
XLogP4.10
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768355
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
N-[[3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63046065
N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
N-[[3-chloro-4-(2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81144981
N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 81152126
N-[[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 66142328
N-[[3-chloro-4-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 66044236

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 63057024) is N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is Cc1cc(COc2ccc(CNC(C)(C)C)cc2Cl)no1.
What is the InChIKey of N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QSPVUYZYMBGOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11-7-13(19-21-11)10-20-15-6-5-12(8-14(15)17)9-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3.
What are the key properties of N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 308.81 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63057024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).