N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C17H18FN3OS — CID 71869006

IUPACN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1csc(C(C)(C)NCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C17H18FN3OS/c1-11-10-23-16(21-11)17(2,3)20-9-15-19-8-14(22-15)12-4-6-13(18)7-5-12/h4-8,10,20H,9H2,1-3H3
InChIKeyFMIUAMWGMFCIQP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.27
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 71869006) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID71869006
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC NameN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1csc(C(C)(C)NCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C17H18FN3OS/c1-11-10-23-16(21-11)17(2,3)20-9-15-19-8-14(22-15)12-4-6-13(18)7-5-12/h4-8,10,20H,9H2,1-3H3
InChIKeyFMIUAMWGMFCIQP-UHFFFAOYSA-N
XLogP4.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115630862
2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 115630861
N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide
CID 71986790
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 115630858
(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864461
(1R)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864475
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115637995
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
CID 82397195

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 71869006) is N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is Cc1csc(C(C)(C)NCc2ncc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is FMIUAMWGMFCIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-11-10-23-16(21-11)17(2,3)20-9-15-19-8-14(22-15)12-4-6-13(18)7-5-12/h4-8,10,20H,9H2,1-3H3.
What are the key properties of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 331.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 71869006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).