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

C16H17FN4O2 — CID 28957160

IUPAC1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nonc1CN(C)Cc1nc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C16H17FN4O2/c1-10-14(20-23-19-10)8-21(3)9-15-11(2)22-16(18-15)12-4-6-13(17)7-5-12/h4-7H,8-9H2,1-3H3
InChIKeyNFCGOMKCIPCOMB-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.11
Rot. Bonds5

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

1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine (PubChem CID 28957160) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
PubChem CID28957160
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nonc1CN(C)Cc1nc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C16H17FN4O2/c1-10-14(20-23-19-10)8-21(3)9-15-11(2)22-16(18-15)12-4-6-13(17)7-5-12/h4-7H,8-9H2,1-3H3
InChIKeyNFCGOMKCIPCOMB-UHFFFAOYSA-N
XLogP3.11
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine
CID 29028159
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56860414
(4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 26322446
(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 42287529
N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 55543480
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
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CID 42567777
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24623442
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
CID 42189865
1-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56870982
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine (CID 28957160) is 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine is Cc1nonc1CN(C)Cc1nc(-c2ccc(F)cc2)oc1C.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is NFCGOMKCIPCOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-10-14(20-23-19-10)8-21(3)9-15-11(2)22-16(18-15)12-4-6-13(17)7-5-12/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 316.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 28957160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).