1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C11H10ClFN2O — CID 106415684

IUPAC1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccno2)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O/c12-11-5-9(13)2-1-8(11)6-14-7-10-3-4-15-16-10/h1-5,14H,6-7H2
InChIKeyVAVHTQPBESFMFW-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.76
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 106415684) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID106415684
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccno2)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O/c12-11-5-9(13)2-1-8(11)6-14-7-10-3-4-15-16-10/h1-5,14H,6-7H2
InChIKeyVAVHTQPBESFMFW-UHFFFAOYSA-N
XLogP2.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415014
N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 60975561
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 54900023
N-[(2-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 28563338
1-(2-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605023
2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415448
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106417792
4-fluoro-3-[(1,2-oxazol-5-ylmethylamino)methyl]benzoic acid
CID 106419858
2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415418
N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 106415689

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 106415684) is 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is Fc1ccc(CNCc2ccno2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is VAVHTQPBESFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-11-5-9(13)2-1-8(11)6-14-7-10-3-4-15-16-10/h1-5,14H,6-7H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 240.67 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 106415684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).