1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C12H13FN2O2 — CID 106415514

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ccno2)cc1F
InChIInChI=1S/C12H13FN2O2/c1-16-12-3-2-9(6-11(12)13)7-14-8-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3
InChIKeyUCRYWVDQBJCWOF-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.11
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 106415514) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID106415514
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ccno2)cc1F
InChIInChI=1S/C12H13FN2O2/c1-16-12-3-2-9(6-11(12)13)7-14-8-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3
InChIKeyUCRYWVDQBJCWOF-UHFFFAOYSA-N
XLogP2.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415003
N'-hydroxy-2-methoxy-5-[(1,2-oxazol-5-ylmethylamino)methyl]benzenecarboximidamide
CID 106418431
N-[[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689166
N'-hydroxy-2-methoxy-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzenecarboximidamide
CID 106418421
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415418
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(2-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605023
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113252144
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 106415514) is 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is COc1ccc(CNCc2ccno2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is UCRYWVDQBJCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-16-12-3-2-9(6-11(12)13)7-14-8-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 236.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 106415514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).