N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

C18H19FN2O — CID 93115663

IUPACN-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(C2=NO[C@@H](CNCc3ccccc3F)C2)cc1
InChIInChI=1S/C18H19FN2O/c1-13-6-8-14(9-7-13)18-10-16(22-21-18)12-20-11-15-4-2-3-5-17(15)19/h2-9,16,20H,10-12H2,1H3/t16-/m1/s1
InChIKeyDZNVYUUHYWVVLD-MRXNPFEDSA-N
MW298.36 g/mol
LogP3.42
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 93115663) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID93115663
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(C2=NO[C@@H](CNCc3ccccc3F)C2)cc1
InChIInChI=1S/C18H19FN2O/c1-13-6-8-14(9-7-13)18-10-16(22-21-18)12-20-11-15-4-2-3-5-17(15)19/h2-9,16,20H,10-12H2,1H3/t16-/m1/s1
InChIKeyDZNVYUUHYWVVLD-MRXNPFEDSA-N
XLogP3.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681854
3-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681931
3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16682031
N-[[4,5-Dihydro-3-[4-[1,2,3,6-tetrahydro-1-(acetyl)-4-pyridinyl]phenyl]-5-isoxazolyl]methyl]acetamide
CID 11110612
N-[1-(3,4-difluorophenyl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45885568
3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095764
(E)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-(benzylamino) ethyl) oxime
CID 178183404
3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 8050682
3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 8103100
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715265
1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715480
N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
CID 24715614

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 93115663) is N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is Cc1ccc(C2=NO[C@@H](CNCc3ccccc3F)C2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is DZNVYUUHYWVVLD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-13-6-8-14(9-7-13)18-10-16(22-21-18)12-20-11-15-4-2-3-5-17(15)19/h2-9,16,20H,10-12H2,1H3/t16-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 298.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 93115663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).